1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene

C15H18 — CID 142806847

IUPAC1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
SMILESCc1cccc(CC2=CC(C)CC=C2)c1
InChIInChI=1S/C15H18/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h3-5,7-10,13H,6,11H2,1-2H3
InChIKeyPHFJBPZAFJBIKT-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene

1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene (PubChem CID 142806847) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
PubChem CID142806847
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
SMILESCc1cccc(CC2=CC(C)CC=C2)c1
InChIInChI=1S/C15H18/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h3-5,7-10,13H,6,11H2,1-2H3
InChIKeyPHFJBPZAFJBIKT-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene (CID 142806847) is 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene is Cc1cccc(CC2=CC(C)CC=C2)c1.
What is the InChIKey of 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene?
The InChIKey is PHFJBPZAFJBIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h3-5,7-10,13H,6,11H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene?
1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene is sourced from PubChem (CID 142806847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).