6-(cyclopenten-1-yl)-2,3-dimethylphenol

C13H16O — CID 102534081

IUPAC6-(cyclopenten-1-yl)-2,3-dimethylphenol
SMILESCc1ccc(C2=CCCC2)c(O)c1C
InChIInChI=1S/C13H16O/c1-9-7-8-12(13(14)10(9)2)11-5-3-4-6-11/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyDROIHCRMDHLNQC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.58
Rot. Bonds1

About 6-(cyclopenten-1-yl)-2,3-dimethylphenol

6-(cyclopenten-1-yl)-2,3-dimethylphenol (PubChem CID 102534081) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-2,3-dimethylphenol.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-2,3-dimethylphenol
PubChem CID102534081
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name6-(cyclopenten-1-yl)-2,3-dimethylphenol
SMILESCc1ccc(C2=CCCC2)c(O)c1C
InChIInChI=1S/C13H16O/c1-9-7-8-12(13(14)10(9)2)11-5-3-4-6-11/h5,7-8,14H,3-4,6H2,1-2H3
InChIKeyDROIHCRMDHLNQC-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-2,3-dimethylphenol?
The IUPAC name of 6-(cyclopenten-1-yl)-2,3-dimethylphenol (CID 102534081) is 6-(cyclopenten-1-yl)-2,3-dimethylphenol.
What is the SMILES notation for 6-(cyclopenten-1-yl)-2,3-dimethylphenol?
The canonical SMILES for 6-(cyclopenten-1-yl)-2,3-dimethylphenol is Cc1ccc(C2=CCCC2)c(O)c1C.
What is the InChIKey of 6-(cyclopenten-1-yl)-2,3-dimethylphenol?
The InChIKey is DROIHCRMDHLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9-7-8-12(13(14)10(9)2)11-5-3-4-6-11/h5,7-8,14H,3-4,6H2,1-2H3.
What are the key properties of 6-(cyclopenten-1-yl)-2,3-dimethylphenol?
6-(cyclopenten-1-yl)-2,3-dimethylphenol has a molecular weight of 188.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-2,3-dimethylphenol is sourced from PubChem (CID 102534081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).