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

C18H21FO2 — CID 65146874

IUPAC2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2ccc(C)c(C)c2)cc1F
InChIInChI=1S/C18H21FO2/c1-12-5-7-15(9-13(12)2)18(3,20)11-14-6-8-17(21-4)16(19)10-14/h5-10,20H,11H2,1-4H3
InChIKeyAWXBTHNDHQKECI-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.90
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 65146874) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID65146874
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2ccc(C)c(C)c2)cc1F
InChIInChI=1S/C18H21FO2/c1-12-5-7-15(9-13(12)2)18(3,20)11-14-6-8-17(21-4)16(19)10-14/h5-10,20H,11H2,1-4H3
InChIKeyAWXBTHNDHQKECI-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 65149465
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-2-methylhex-5-en-2-ol
CID 113437948
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
4-[1-(3,4-dimethylphenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481701

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 65146874) is 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)c2ccc(C)c(C)c2)cc1F.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is AWXBTHNDHQKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12-5-7-15(9-13(12)2)18(3,20)11-14-6-8-17(21-4)16(19)10-14/h5-10,20H,11H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 65146874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).