(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol

C17H16BrClO — CID 107947823

IUPAC(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H16BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2
InChIKeyIDEVENYIJIMOQM-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.45
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol

(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol (PubChem CID 107947823) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
PubChem CID107947823
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C17H16BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2
InChIKeyIDEVENYIJIMOQM-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107947446
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
[(4-cyclobutylphenyl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105338167

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol (CID 107947823) is (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol is OC(c1ccc(C2CCC2)cc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is IDEVENYIJIMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c18-15-8-14(9-16(19)10-15)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol?
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 351.67 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 107947823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).