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

C18H22O2 — CID 123769924

IUPAC3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CCO)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)11-16(10-13)18(7-8-19)15-5-4-6-17(12-15)20-3/h4-6,9-12,18-19H,7-8H2,1-3H3
InChIKeyJKDPZGFIOCGPPA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.83
Rot. Bonds5

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

3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 123769924) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
PubChem CID123769924
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CCO)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-13-9-14(2)11-16(10-13)18(7-8-19)15-5-4-6-17(12-15)20-3/h4-6,9-12,18-19H,7-8H2,1-3H3
InChIKeyJKDPZGFIOCGPPA-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 118347436
(2S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 118347456
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
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3-(3-methoxyphenyl)-5-methylhexan-1-ol
CID 112507986
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
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2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol (CID 123769924) is 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(C(CCO)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is JKDPZGFIOCGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-9-14(2)11-16(10-13)18(7-8-19)15-5-4-6-17(12-15)20-3/h4-6,9-12,18-19H,7-8H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 123769924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).