anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol

C106H136O15 — CID 157202511

IUPACanisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol
SMILESC=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1OC.CC.CC.COC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1cccc(OC)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1CO
InChIInChI=1S/C23H28O2.C17H20O.C15H16O2.3C8H10O2.3C7H8O.C2H6O.2C2H6/c1-7-9-17-15-19(11-13-21(17)24-5)23(3,4)20-12-14-22(25-6)18(16-20)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-10-8-5-3-2-4-7(8)6-9;3*1-8-7-5-3-2-4-6-7;1-3-2;2*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-6H,1-2H3;2-5,9H,6H2,1H3;3*2-6H,1H3;1-2H3;2*1-2H3
InChIKeyAQYQGOUHNNVTQZ-UHFFFAOYSA-N
MW1650.24 g/mol
LogP25.11
Rot. Bonds24

About anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol

anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol (PubChem CID 157202511) has the molecular formula C106H136O15 and a molecular weight of 1650.24 g/mol. Its IUPAC name is anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol.

Molecular Properties

Compound Nameanisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol
PubChem CID157202511
Molecular FormulaC106H136O15
Molecular Weight1650.24 g/mol
Exact Mass1648.99
IUPAC Nameanisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol
SMILESC=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1OC.CC.CC.COC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1cccc(OC)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1CO
InChIInChI=1S/C23H28O2.C17H20O.C15H16O2.3C8H10O2.3C7H8O.C2H6O.2C2H6/c1-7-9-17-15-19(11-13-21(17)24-5)23(3,4)20-12-14-22(25-6)18(16-20)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-10-8-5-3-2-4-7(8)6-9;3*1-8-7-5-3-2-4-6-7;1-3-2;2*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-6H,1-2H3;2-5,9H,6H2,1H3;3*2-6H,1H3;1-2H3;2*1-2H3
InChIKeyAQYQGOUHNNVTQZ-UHFFFAOYSA-N
XLogP25.11
TPSA149.45 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001650.24
LogP ≤ 525.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol?
The IUPAC name of anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol (CID 157202511) is anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol.
What is the SMILES notation for anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol?
The canonical SMILES for anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol is C=CCc1cc(C(C)(C)c2ccc(OC)c(CC=C)c2)ccc1OC.CC.CC.COC.COc1ccc(C(C)(C)c2ccc(C)cc2)cc1.COc1ccc(Cc2ccc(OC)cc2)cc1.COc1ccc(OC)cc1.COc1cccc(OC)c1.COc1ccccc1.COc1ccccc1.COc1ccccc1.COc1ccccc1CO.
What is the InChIKey of anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol?
The InChIKey is AQYQGOUHNNVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2.C17H20O.C15H16O2.3C8H10O2.3C7H8O.C2H6O.2C2H6/c1-7-9-17-15-19(11-13-21(17)24-5)23(3,4)20-12-14-22(25-6)18(16-20)10-8-2;1-13-5-7-14(8-6-13)17(2,3)15-9-11-16(18-4)12-10-15;1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13;1-9-7-3-5-8(10-2)6-4-7;1-9-7-4-3-5-8(6-7)10-2;1-10-8-5-3-2-4-7(8)6-9;3*1-8-7-5-3-2-4-6-7;1-3-2;2*1-2/h7-8,11-16H,1-2,9-10H2,3-6H3;5-12H,1-4H3;3-10H,11H2,1-2H3;2*3-6H,1-2H3;2-5,9H,6H2,1H3;3*2-6H,1H3;1-2H3;2*1-2H3.
What are the key properties of anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol?
anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol has a molecular weight of 1650.24 g/mol, XLogP of 25.11, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1,3-dimethoxybenzene;1,4-dimethoxybenzene;ethane;methoxymethane;1-methoxy-4-[(4-methoxyphenyl)methyl]benzene;1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;(2-methoxyphenyl)methanol is sourced from PubChem (CID 157202511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).