1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

C16H15ClF2O2 — CID 63022137

IUPAC1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2c(F)cccc2Cl)cc1F
InChIInChI=1S/C16H15ClF2O2/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11,20H,7,9H2,1H3
InChIKeyWTQLKHZQUWHXBK-UHFFFAOYSA-N
MW312.74 g/mol
LogP3.77
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 63022137) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID63022137
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2c(F)cccc2Cl)cc1F
InChIInChI=1S/C16H15ClF2O2/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11,20H,7,9H2,1H3
InChIKeyWTQLKHZQUWHXBK-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-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 63022137) is 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2c(F)cccc2Cl)cc1F.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is WTQLKHZQUWHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-21-16-6-5-10(8-15(16)19)7-11(20)9-12-13(17)3-2-4-14(12)18/h2-6,8,11,20H,7,9H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
1-(2-chloro-6-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-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 63022137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).