1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene

C14H15Br — CID 173119276

IUPAC1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCC1=CCCC(c2ccc(Br)c(C)c2)=C1
InChIInChI=1S/C14H15Br/c1-10-4-3-5-12(8-10)13-6-7-14(15)11(2)9-13/h4,6-9H,3,5H2,1-2H3
InChIKeyQNLBXDDTULXWBW-UHFFFAOYSA-N
MW263.18 g/mol
LogP4.88
Rot. Bonds1

About 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene

1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 173119276) has the molecular formula C14H15Br and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID173119276
Molecular FormulaC14H15Br
Molecular Weight263.18 g/mol
Exact Mass262.04
IUPAC Name1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene
SMILESCC1=CCCC(c2ccc(Br)c(C)c2)=C1
InChIInChI=1S/C14H15Br/c1-10-4-3-5-12(8-10)13-6-7-14(15)11(2)9-13/h4,6-9H,3,5H2,1-2H3
InChIKeyQNLBXDDTULXWBW-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene (CID 173119276) is 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene is CC1=CCCC(c2ccc(Br)c(C)c2)=C1.
What is the InChIKey of 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is QNLBXDDTULXWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br/c1-10-4-3-5-12(8-10)13-6-7-14(15)11(2)9-13/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene?
1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 263.18 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 173119276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).