1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol

C16H15Cl2FO — CID 114347424

IUPAC1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-10-6-13(19)4-3-12(10)9-14(20)7-11-2-5-15(17)16(18)8-11/h2-6,8,14,20H,7,9H2,1H3
InChIKeyKXGRUXSFXZEVBM-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.59
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol

1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 114347424) has the molecular formula C16H15Cl2FO and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
PubChem CID114347424
Molecular FormulaC16H15Cl2FO
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1CC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2FO/c1-10-6-13(19)4-3-12(10)9-14(20)7-11-2-5-15(17)16(18)8-11/h2-6,8,14,20H,7,9H2,1H3
InChIKeyKXGRUXSFXZEVBM-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347515
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol (CID 114347424) is 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol is Cc1cc(F)ccc1CC(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is KXGRUXSFXZEVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FO/c1-10-6-13(19)4-3-12(10)9-14(20)7-11-2-5-15(17)16(18)8-11/h2-6,8,14,20H,7,9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol?
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 313.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 114347424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).