2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol

C18H21FO2 — CID 65147032

IUPAC2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H21FO2/c1-4-13-5-8-15(9-6-13)18(2,20)12-14-7-10-17(21-3)16(19)11-14/h5-11,20H,4,12H2,1-3H3
InChIKeyBIAKQAOZXBBECQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.85
Rot. Bonds5

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

2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 65147032) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID65147032
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H21FO2/c1-4-13-5-8-15(9-6-13)18(2,20)12-14-7-10-17(21-3)16(19)11-14/h5-11,20H,4,12H2,1-3H3
InChIKeyBIAKQAOZXBBECQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 65149465
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
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-(3-fluorophenyl)propan-2-amine
CID 62621995

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 65147032) is 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol is CCc1ccc(C(C)(O)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is BIAKQAOZXBBECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-4-13-5-8-15(9-6-13)18(2,20)12-14-7-10-17(21-3)16(19)11-14/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol?
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 65147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).