1,2-bis(2-methoxy-5-methylphenyl)ethanol

C18H22O3 — CID 115781516

IUPAC1,2-bis(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(C)ccc1OC
InChIInChI=1S/C18H22O3/c1-12-5-7-17(20-3)14(9-12)11-16(19)15-10-13(2)6-8-18(15)21-4/h5-10,16,19H,11H2,1-4H3
InChIKeyHLXWCTNGTMTOHU-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.60
Rot. Bonds5

About 1,2-bis(2-methoxy-5-methylphenyl)ethanol

1,2-bis(2-methoxy-5-methylphenyl)ethanol (PubChem CID 115781516) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1,2-bis(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1,2-bis(2-methoxy-5-methylphenyl)ethanol
PubChem CID115781516
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1,2-bis(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc(C)ccc1OC
InChIInChI=1S/C18H22O3/c1-12-5-7-17(20-3)14(9-12)11-16(19)15-10-13(2)6-8-18(15)21-4/h5-10,16,19H,11H2,1-4H3
InChIKeyHLXWCTNGTMTOHU-UHFFFAOYSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 62537711
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(5-amino-1H-pyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65361723
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1,2-bis(2-methoxy-5-methylphenyl)ethanol (CID 115781516) is 1,2-bis(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1,2-bis(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1,2-bis(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1cc(C)ccc1OC.
What is the InChIKey of 1,2-bis(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is HLXWCTNGTMTOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-12-5-7-17(20-3)14(9-12)11-16(19)15-10-13(2)6-8-18(15)21-4/h5-10,16,19H,11H2,1-4H3.
What are the key properties of 1,2-bis(2-methoxy-5-methylphenyl)ethanol?
1,2-bis(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 115781516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).