(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol

C16H16ClFO — CID 63094658

IUPAC(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-8-15(18)14(17)9-13/h3-10,16,19H,1-2H3
InChIKeyYXZHCNAJGQUDPJ-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.68
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol

(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 63094658) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
PubChem CID63094658
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-8-15(18)14(17)9-13/h3-10,16,19H,1-2H3
InChIKeyYXZHCNAJGQUDPJ-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol (CID 63094658) is (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is YXZHCNAJGQUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10(2)11-3-5-12(6-4-11)16(19)13-7-8-15(18)14(17)9-13/h3-10,16,19H,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol?
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 278.75 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 63094658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).