(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene

C14H17Br — CID 15701440

IUPAC(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene
SMILESCC1=C(Br)CCC(C)(c2ccccc2)C1
InChIInChI=1S/C14H17Br/c1-11-10-14(2,9-8-13(11)15)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyBMYRMAZFEUHIFW-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.80
Rot. Bonds1

About (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene

(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene (PubChem CID 15701440) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene.

Molecular Properties

Compound Name(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene
PubChem CID15701440
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene
SMILESCC1=C(Br)CCC(C)(c2ccccc2)C1
InChIInChI=1S/C14H17Br/c1-11-10-14(2,9-8-13(11)15)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyBMYRMAZFEUHIFW-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
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methanimine;(1-methylcyclopropyl)benzene
CID 163372964
methane;(1-methylcyclopentyl)benzene
CID 143499824
ethane;4-methyl-4-phenylpiperidine
CID 91476557
3-methyl-3-phenylpyrrolidine
CID 21098616
4-methyl-4-phenylazepane
CID 89410025
5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
2,5-dimethylbicyclo[3.1.0]hex-1-ene
CID 91551735
1-ethyl-3-methyl-3-phenylazetidine
CID 23641
3-methyl-3-phenyl-1-propan-2-ylazetidine
CID 121277352
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene?
The IUPAC name of (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene (CID 15701440) is (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene.
What is the SMILES notation for (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene?
The canonical SMILES for (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene is CC1=C(Br)CCC(C)(c2ccccc2)C1.
What is the InChIKey of (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene?
The InChIKey is BMYRMAZFEUHIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c1-11-10-14(2,9-8-13(11)15)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene?
(4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene has a molecular weight of 265.19 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-dimethylcyclohex-3-en-1-yl)benzene is sourced from PubChem (CID 15701440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).