1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

C16H15ClF2O2 — CID 63035603

IUPAC1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(F)cc2Cl)cc1F
InChIInChI=1S/C16H15ClF2O2/c1-21-16-5-2-10(7-15(16)19)6-13(20)8-11-3-4-12(18)9-14(11)17/h2-5,7,9,13,20H,6,8H2,1H3
InChIKeyAFMWCBQRXCAKBU-UHFFFAOYSA-N
MW312.74 g/mol
LogP3.77
Rot. Bonds5

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

1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 63035603) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID63035603
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2ccc(F)cc2Cl)cc1F
InChIInChI=1S/C16H15ClF2O2/c1-21-16-5-2-10(7-15(16)19)6-13(20)8-11-3-4-12(18)9-14(11)17/h2-5,7,9,13,20H,6,8H2,1H3
InChIKeyAFMWCBQRXCAKBU-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63035597
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(2-chloro-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 65444557
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 62605970

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 63035603) is 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2ccc(F)cc2Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is AFMWCBQRXCAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-21-16-5-2-10(7-15(16)19)6-13(20)8-11-3-4-12(18)9-14(11)17/h2-5,7,9,13,20H,6,8H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 312.74 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 63035603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).