1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene

C14H16 — CID 145174438

IUPAC1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2cccc(C)c2)C=CCC1
InChIInChI=1S/C14H16/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2/h4-6,8-10H,3,7H2,1-2H3
InChIKeyZMTTXTJKEQVOFC-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.12
Rot. Bonds1

About 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene

1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 145174438) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID145174438
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2cccc(C)c2)C=CCC1
InChIInChI=1S/C14H16/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2/h4-6,8-10H,3,7H2,1-2H3
InChIKeyZMTTXTJKEQVOFC-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862
3-chloro-6-[2-(3-methylphenyl)cyclohexa-1,3-dien-1-yl]oxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 155196533
1,3-bis(3-methylphenyl)-6-[(E)-prop-1-enyl]pyrene;butane;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-2-(2-methylphenyl)benzene;propane
CID 143424070
1-methyl-3-(2-methylcyclopenten-1-yl)benzene
CID 10866804
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2-butan-2-yl-9,9-diphenylfluorene;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-phenylbenzene
CID 144810091
ethene;1-methyl-3-phenylbenzene
CID 142622149
4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
CID 144573791
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene (CID 145174438) is 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene is CC1=C(c2cccc(C)c2)C=CCC1.
What is the InChIKey of 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is ZMTTXTJKEQVOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 145174438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).