(4-bromophenyl)-(4-cyclohexylphenyl)methanone

C19H19BrO — CID 43338426

IUPAC(4-bromophenyl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19BrO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14H,1-5H2
InChIKeyXNOHMDJQLCUMGR-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.73
Rot. Bonds3

About (4-bromophenyl)-(4-cyclohexylphenyl)methanone

(4-bromophenyl)-(4-cyclohexylphenyl)methanone (PubChem CID 43338426) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is (4-bromophenyl)-(4-cyclohexylphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-cyclohexylphenyl)methanone
PubChem CID43338426
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name(4-bromophenyl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H19BrO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14H,1-5H2
InChIKeyXNOHMDJQLCUMGR-UHFFFAOYSA-N
XLogP5.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.26
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
CID 106683716
(2-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116505708
(3-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116597248
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-cyclohexylphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(4-cyclohexylphenyl)methanone (CID 43338426) is (4-bromophenyl)-(4-cyclohexylphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-cyclohexylphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-cyclohexylphenyl)methanone is O=C(c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-cyclohexylphenyl)methanone?
The InChIKey is XNOHMDJQLCUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c20-18-12-10-17(11-13-18)19(21)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-14H,1-5H2.
What are the key properties of (4-bromophenyl)-(4-cyclohexylphenyl)methanone?
(4-bromophenyl)-(4-cyclohexylphenyl)methanone has a molecular weight of 343.26 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-cyclohexylphenyl)methanone is sourced from PubChem (CID 43338426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).