(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone

C14H15BrO — CID 155973420

IUPAC(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
SMILESCC1(C(=O)c2ccccc2Br)C=CCCC1
InChIInChI=1S/C14H15BrO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-5,7-9H,2,6,10H2,1H3
InChIKeyCTPBLRAKRKJQKW-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.38
Rot. Bonds2

About (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone

(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone (PubChem CID 155973420) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
PubChem CID155973420
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone
SMILESCC1(C(=O)c2ccccc2Br)C=CCCC1
InChIInChI=1S/C14H15BrO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-5,7-9H,2,6,10H2,1H3
InChIKeyCTPBLRAKRKJQKW-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
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(2-bromophenyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 130958890
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
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CID 43409214
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 101445164
2-bromobenzoyl cyanide
CID 12969202
1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone (CID 155973420) is (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone is CC1(C(=O)c2ccccc2Br)C=CCCC1.
What is the InChIKey of (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone?
The InChIKey is CTPBLRAKRKJQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-14(9-5-2-6-10-14)13(16)11-7-3-4-8-12(11)15/h3-5,7-9H,2,6,10H2,1H3.
What are the key properties of (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone?
(2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone has a molecular weight of 279.18 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-methylcyclohex-2-en-1-yl)methanone is sourced from PubChem (CID 155973420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).