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

C12H12O — CID 70505882

IUPAC2-(cyclopenta-1,3-dien-1-ylmethyl)phenol
SMILESOc1ccccc1CC1=CC=CC1
InChIInChI=1S/C12H12O/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h1-5,7-8,13H,6,9H2
InChIKeyVGPBENWRNBCHOX-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.82
Rot. Bonds2

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

2-(cyclopenta-1,3-dien-1-ylmethyl)phenol (PubChem CID 70505882) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-(cyclopenta-1,3-dien-1-ylmethyl)phenol
PubChem CID70505882
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-(cyclopenta-1,3-dien-1-ylmethyl)phenol
SMILESOc1ccccc1CC1=CC=CC1
InChIInChI=1S/C12H12O/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h1-5,7-8,13H,6,9H2
InChIKeyVGPBENWRNBCHOX-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol?
The IUPAC name of 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol (CID 70505882) is 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol.
What is the SMILES notation for 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol?
The canonical SMILES for 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol is Oc1ccccc1CC1=CC=CC1.
What is the InChIKey of 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol?
The InChIKey is VGPBENWRNBCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h1-5,7-8,13H,6,9H2.
What are the key properties of 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol?
2-(cyclopenta-1,3-dien-1-ylmethyl)phenol has a molecular weight of 172.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-1,3-dien-1-ylmethyl)phenol is sourced from PubChem (CID 70505882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).