(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol

C17H16ClFO — CID 116505775

IUPAC(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C17H16ClFO/c18-15-6-2-5-14(16(15)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2
InChIKeyVDFAGTUJFZJBRU-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.83
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol

(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol (PubChem CID 116505775) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
PubChem CID116505775
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C17H16ClFO/c18-15-6-2-5-14(16(15)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2
InChIKeyVDFAGTUJFZJBRU-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-5-fluorophenyl)-(4-cyclopropylphenyl)methanol
CID 105393945
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836289
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(3-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068636
(4-cyclobutylphenyl)-thiophen-2-ylmethanol
CID 116505278
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol (CID 116505775) is (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol is OC(c1ccc(C2CCC2)cc1)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is VDFAGTUJFZJBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c18-15-6-2-5-14(16(15)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2.
What are the key properties of (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol?
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 290.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 116505775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).