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

C16H16ClFO2 — CID 114851769

IUPAC1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyCHPIWQZHHRSDPY-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.94
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol (PubChem CID 114851769) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
PubChem CID114851769
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(C(C)(O)Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3
InChIKeyCHPIWQZHHRSDPY-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 65144721
1-(2-chlorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 54919291
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 61496061
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-(4-chloro-2-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 114851814
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol (CID 114851769) is 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol is COc1cccc(C(C)(O)Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
The InChIKey is CHPIWQZHHRSDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-16(19,12-4-3-5-14(8-12)20-2)10-11-6-7-13(17)9-15(11)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol?
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol has a molecular weight of 294.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114851769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).