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

C16H16ClFO2 — CID 115983556

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H16ClFO2/c1-20-14-6-2-4-11(9-14)8-13(19)10-12-5-3-7-15(18)16(12)17/h2-7,9,13,19H,8,10H2,1H3
InChIKeyOULNOQZGRPWXEE-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.63
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol (PubChem CID 115983556) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
PubChem CID115983556
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C16H16ClFO2/c1-20-14-6-2-4-11(9-14)8-13(19)10-12-5-3-7-15(18)16(12)17/h2-7,9,13,19H,8,10H2,1H3
InChIKeyOULNOQZGRPWXEE-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984617
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
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1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenoxy)propan-2-ol
CID 105124071
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol (CID 115983556) is 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol is COc1cccc(CC(O)Cc2cccc(F)c2Cl)c1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
The InChIKey is OULNOQZGRPWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-20-14-6-2-4-11(9-14)8-13(19)10-12-5-3-7-15(18)16(12)17/h2-7,9,13,19H,8,10H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol has a molecular weight of 294.75 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 115983556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).