2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one

C19H19BrO — CID 63399765

IUPAC2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1Cc1ccccc1Br
InChIInChI=1S/C19H19BrO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17H,10-13H2
InChIKeyNSAGWAQETJQNTF-UHFFFAOYSA-N
MW343.26 g/mol
LogP5.14
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one

2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one (PubChem CID 63399765) has the molecular formula C19H19BrO and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one
PubChem CID63399765
Molecular FormulaC19H19BrO
Molecular Weight343.26 g/mol
Exact Mass342.06
IUPAC Name2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1Cc1ccccc1Br
InChIInChI=1S/C19H19BrO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17H,10-13H2
InChIKeyNSAGWAQETJQNTF-UHFFFAOYSA-N
XLogP5.14
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 ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
CID 55186721
2-[(3-chlorophenyl)methyl]-4-phenylcyclohexan-1-one
CID 63400405
4-phenyl-2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-one
CID 79417686
2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one
CID 79417154
2-(3-ethylsulfanylpropyl)-4-phenylcyclohexan-1-one
CID 113473878
4-bromo-1-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 70612738
2-(diethoxymethyl)-4-phenylcyclohexan-1-one
CID 115480729
trans-(2R,4R)-4-phenyl-2-(2,2,2-trifluoroacetyl)cyclohexan-1-one
CID 98107848
2-cycloheptyl-4-phenylcyclohexan-1-one
CID 82928864
2-nitro-4-phenylcyclohexan-1-one
CID 10932938
2-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-one
CID 79424662
2-(2-bromophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413596

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one (CID 63399765) is 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one is O=C1CCC(c2ccccc2)CC1Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one?
The InChIKey is NSAGWAQETJQNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-9,15,17H,10-13H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one?
2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one has a molecular weight of 343.26 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-phenylcyclohexan-1-one is sourced from PubChem (CID 63399765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).