1-methyl-3-(2-methylcyclopenten-1-yl)benzene

C13H16 — CID 10866804

IUPAC1-methyl-3-(2-methylcyclopenten-1-yl)benzene
SMILESCC1=C(c2cccc(C)c2)CCC1
InChIInChI=1S/C13H16/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyFAGMODKEBOTPRD-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.95
Rot. Bonds1

About 1-methyl-3-(2-methylcyclopenten-1-yl)benzene

1-methyl-3-(2-methylcyclopenten-1-yl)benzene (PubChem CID 10866804) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclopenten-1-yl)benzene
PubChem CID10866804
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-3-(2-methylcyclopenten-1-yl)benzene
SMILESCC1=C(c2cccc(C)c2)CCC1
InChIInChI=1S/C13H16/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyFAGMODKEBOTPRD-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
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
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878
4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037185
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
methanamine;1-methyl-3-phenylbenzene
CID 145414985
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylcyclopenten-1-yl)benzene?
The IUPAC name of 1-methyl-3-(2-methylcyclopenten-1-yl)benzene (CID 10866804) is 1-methyl-3-(2-methylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-methyl-3-(2-methylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-methyl-3-(2-methylcyclopenten-1-yl)benzene is CC1=C(c2cccc(C)c2)CCC1.
What is the InChIKey of 1-methyl-3-(2-methylcyclopenten-1-yl)benzene?
The InChIKey is FAGMODKEBOTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10-5-3-7-12(9-10)13-8-4-6-11(13)2/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methylcyclopenten-1-yl)benzene?
1-methyl-3-(2-methylcyclopenten-1-yl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.95, 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-methylcyclopenten-1-yl)benzene is sourced from PubChem (CID 10866804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).