1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene

C14H18 — CID 158604020

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
SMILESCc1ccc(CC2CC=CCC2)cc1
InChIInChI=1S/C14H18/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3
InChIKeyHYIOSRPPZAFDHK-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.89
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene

1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene (PubChem CID 158604020) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
PubChem CID158604020
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
SMILESCc1ccc(CC2CC=CCC2)cc1
InChIInChI=1S/C14H18/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3
InChIKeyHYIOSRPPZAFDHK-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylphenyl)methyl]cycloheptene
CID 142080732
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
CID 164652657
bis(cyclohex-3-en-1-ylmethyl) (4-methylphenyl) phosphate
CID 141187341
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
2-methyl-5-[(4-methylphenyl)methyl]oxane
CID 123844175

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene (CID 158604020) is 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene is Cc1ccc(CC2CC=CCC2)cc1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene?
The InChIKey is HYIOSRPPZAFDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-3,7-10,13H,4-6,11H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene?
1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene is sourced from PubChem (CID 158604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).