1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene

C159H236O20 — CID 157350523

IUPAC1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(CCCc2ccc(OC)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1ccc2cc(OC)ccc2c1.COc1cccc(CCCc2cccc(OC)c2)c1.COc1cccc(OC)c1.COc1cccc2c(OC)cccc12.COc1ccccc1CCCc1ccccc1OC.COc1ccccc1Cc1ccccc1OC.COc1ccccc1OC
InChIInChI=1S/3C17H20O2.2C15H16O2.2C12H12O2.3C8H10O2.15C2H6/c1-18-16-10-4-8-14(12-16)6-3-7-15-9-5-11-17(13-15)19-2;1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;1-18-16-10-6-14(7-11-16)4-3-5-15-8-12-17(19-2)13-9-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-9-7-5-3-4-6-8(7)10-2;15*1-2/h4-5,8-13H,3,6-7H2,1-2H3;3-6,8-9,12-13H,7,10-11H2,1-2H3;6-13H,3-5H2,1-2H3;2*3-10H,11H2,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3;15*1-2H3
InChIKeyBHLZHOBFHZXGRR-UHFFFAOYSA-N
MW2467.62 g/mol
LogP44.44
Rot. Bonds36

About 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene

1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene (PubChem CID 157350523) has the molecular formula C159H236O20 and a molecular weight of 2467.62 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene
PubChem CID157350523
Molecular FormulaC159H236O20
Molecular Weight2467.62 g/mol
Exact Mass2465.74
IUPAC Name1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(CCCc2ccc(OC)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1ccc2cc(OC)ccc2c1.COc1cccc(CCCc2cccc(OC)c2)c1.COc1cccc(OC)c1.COc1cccc2c(OC)cccc12.COc1ccccc1CCCc1ccccc1OC.COc1ccccc1Cc1ccccc1OC.COc1ccccc1OC
InChIInChI=1S/3C17H20O2.2C15H16O2.2C12H12O2.3C8H10O2.15C2H6/c1-18-16-10-4-8-14(12-16)6-3-7-15-9-5-11-17(13-15)19-2;1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;1-18-16-10-6-14(7-11-16)4-3-5-15-8-12-17(19-2)13-9-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-9-7-5-3-4-6-8(7)10-2;15*1-2/h4-5,8-13H,3,6-7H2,1-2H3;3-6,8-9,12-13H,7,10-11H2,1-2H3;6-13H,3-5H2,1-2H3;2*3-10H,11H2,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3;15*1-2H3
InChIKeyBHLZHOBFHZXGRR-UHFFFAOYSA-N
XLogP44.44
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002467.62
LogP ≤ 544.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene with MolForge

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Related Compounds

1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
CID 70089547
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
CID 158103342
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene?
The IUPAC name of 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene (CID 157350523) is 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(CCCc2ccc(OC)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1ccc2cc(OC)ccc2c1.COc1cccc(CCCc2cccc(OC)c2)c1.COc1cccc(OC)c1.COc1cccc2c(OC)cccc12.COc1ccccc1CCCc1ccccc1OC.COc1ccccc1Cc1ccccc1OC.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene?
The InChIKey is BHLZHOBFHZXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H20O2.2C15H16O2.2C12H12O2.3C8H10O2.15C2H6/c1-18-16-10-4-8-14(12-16)6-3-7-15-9-5-11-17(13-15)19-2;1-18-16-12-5-3-8-14(16)10-7-11-15-9-4-6-13-17(15)19-2;1-18-16-10-6-14(7-11-16)4-3-5-15-8-12-17(19-2)13-9-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2;1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-9-7-5-3-4-6-8(7)10-2;15*1-2/h4-5,8-13H,3,6-7H2,1-2H3;3-6,8-9,12-13H,7,10-11H2,1-2H3;6-13H,3-5H2,1-2H3;2*3-10H,11H2,1-2H3;2*3-8H,1-2H3;3*3-6H,1-2H3;15*1-2H3.
What are the key properties of 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene?
1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene has a molecular weight of 2467.62 g/mol, XLogP of 44.44, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;1,3-dimethoxybenzene;1,4-dimethoxybenzene;1,5-dimethoxynaphthalene;2,6-dimethoxynaphthalene;ethane;1-methoxy-2-[(2-methoxyphenyl)methyl]benzene;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene;1-methoxy-3-[3-(3-methoxyphenyl)propyl]benzene;1-methoxy-4-[3-(4-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 157350523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).