1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

C17H18ClFO — CID 63414664

IUPAC1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-16(19)15(18)10-14/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyBDWBOYOXNFEOQK-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.88
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 63414664) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID63414664
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-16(19)15(18)10-14/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyBDWBOYOXNFEOQK-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 63414664) is 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is BDWBOYOXNFEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)14-7-8-16(19)15(18)10-14/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 292.78 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63414664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).