1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene

C13H14 — CID 123396097

IUPAC1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene
SMILESCc1ccccc1CC1=CC=CC1
InChIInChI=1S/C13H14/c1-11-6-2-5-9-13(11)10-12-7-3-4-8-12/h2-7,9H,8,10H2,1H3
InChIKeyYOIMDTJFRKYPLN-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.42
Rot. Bonds2

About 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene

1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene (PubChem CID 123396097) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene
PubChem CID123396097
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene
SMILESCc1ccccc1CC1=CC=CC1
InChIInChI=1S/C13H14/c1-11-6-2-5-9-13(11)10-12-7-3-4-8-12/h2-7,9H,8,10H2,1H3
InChIKeyYOIMDTJFRKYPLN-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene?
The IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene (CID 123396097) is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene.
What is the SMILES notation for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene?
The canonical SMILES for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene is Cc1ccccc1CC1=CC=CC1.
What is the InChIKey of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene?
The InChIKey is YOIMDTJFRKYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-11-6-2-5-9-13(11)10-12-7-3-4-8-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene?
1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylbenzene is sourced from PubChem (CID 123396097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).