1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol

C20H28O4 — CID 70089547

IUPAC1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
SMILESCO.COc1cccc(CCCCc2cccc(OC)c2OC)c1
InChIInChI=1S/C19H24O3.CH4O/c1-20-17-12-6-9-15(14-17)8-4-5-10-16-11-7-13-18(21-2)19(16)22-3;1-2/h6-7,9,11-14H,4-5,8,10H2,1-3H3;2H,1H3
InChIKeyIJMHBYXORBIOFA-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.89
Rot. Bonds8

About 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol

1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol (PubChem CID 70089547) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol.

Molecular Properties

Compound Name1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
PubChem CID70089547
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
SMILESCO.COc1cccc(CCCCc2cccc(OC)c2OC)c1
InChIInChI=1S/C19H24O3.CH4O/c1-20-17-12-6-9-15(14-17)8-4-5-10-16-11-7-13-18(21-2)19(16)22-3;1-2/h6-7,9,11-14H,4-5,8,10H2,1-3H3;2H,1H3
InChIKeyIJMHBYXORBIOFA-UHFFFAOYSA-N
XLogP3.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-[(2,3-dimethoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111250201
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
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
1-[(2,3-dimethoxyphenyl)methyl]-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine
CID 111249341
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol?
The IUPAC name of 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol (CID 70089547) is 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol.
What is the SMILES notation for 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol?
The canonical SMILES for 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol is CO.COc1cccc(CCCCc2cccc(OC)c2OC)c1.
What is the InChIKey of 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol?
The InChIKey is IJMHBYXORBIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3.CH4O/c1-20-17-12-6-9-15(14-17)8-4-5-10-16-11-7-13-18(21-2)19(16)22-3;1-2/h6-7,9,11-14H,4-5,8,10H2,1-3H3;2H,1H3.
What are the key properties of 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol?
1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol has a molecular weight of 332.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol is sourced from PubChem (CID 70089547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).