1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol

C18H22O2 — CID 61375136

IUPAC1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22O2/c1-13-8-14(2)10-16(9-13)12-17(19)11-15-4-6-18(20-3)7-5-15/h4-10,17,19H,11-12H2,1-3H3
InChIKeyXACAUCXYOIANSW-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.46
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol

1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 61375136) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID61375136
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22O2/c1-13-8-14(2)10-16(9-13)12-17(19)11-15-4-6-18(20-3)7-5-15/h4-10,17,19H,11-12H2,1-3H3
InChIKeyXACAUCXYOIANSW-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970
(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 6921279
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol (CID 61375136) is 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is XACAUCXYOIANSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-8-14(2)10-16(9-13)12-17(19)11-15-4-6-18(20-3)7-5-15/h4-10,17,19H,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol?
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 270.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 61375136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).