5-[(4-methylphenyl)methyl]cycloheptene

C15H20 — CID 142080732

IUPAC5-[(4-methylphenyl)methyl]cycloheptene
SMILESCc1ccc(CC2CCC=CCC2)cc1
InChIInChI=1S/C15H20/c1-13-8-10-15(11-9-13)12-14-6-4-2-3-5-7-14/h2-3,8-11,14H,4-7,12H2,1H3
InChIKeyZHKOQKNRBDOIAI-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.28
Rot. Bonds2

About 5-[(4-methylphenyl)methyl]cycloheptene

5-[(4-methylphenyl)methyl]cycloheptene (PubChem CID 142080732) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]cycloheptene.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]cycloheptene
PubChem CID142080732
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name5-[(4-methylphenyl)methyl]cycloheptene
SMILESCc1ccc(CC2CCC=CCC2)cc1
InChIInChI=1S/C15H20/c1-13-8-10-15(11-9-13)12-14-6-4-2-3-5-7-14/h2-3,8-11,14H,4-7,12H2,1H3
InChIKeyZHKOQKNRBDOIAI-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.28
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

1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
CID 158604020
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
[4-(cyclohexylmethyl)phenyl]-fluoro-bis(4-methylphenyl)-λ4-sulfane
CID 139924191
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
CID 123342041
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
2-methyl-5-[(4-methylphenyl)methyl]oxane
CID 123844175

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]cycloheptene?
The IUPAC name of 5-[(4-methylphenyl)methyl]cycloheptene (CID 142080732) is 5-[(4-methylphenyl)methyl]cycloheptene.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]cycloheptene?
The canonical SMILES for 5-[(4-methylphenyl)methyl]cycloheptene is Cc1ccc(CC2CCC=CCC2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]cycloheptene?
The InChIKey is ZHKOQKNRBDOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-13-8-10-15(11-9-13)12-14-6-4-2-3-5-7-14/h2-3,8-11,14H,4-7,12H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]cycloheptene?
5-[(4-methylphenyl)methyl]cycloheptene has a molecular weight of 200.33 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]cycloheptene is sourced from PubChem (CID 142080732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).