2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol

C14H16O — CID 140996637

IUPAC2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCC1=CCC(C)(c2ccccc2O)C=C1
InChIInChI=1S/C14H16O/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-9,15H,10H2,1-2H3
InChIKeyWKXSPUDECRRQFK-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.56
Rot. Bonds1

About 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol

2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol (PubChem CID 140996637) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
PubChem CID140996637
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCC1=CCC(C)(c2ccccc2O)C=C1
InChIInChI=1S/C14H16O/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-9,15H,10H2,1-2H3
InChIKeyWKXSPUDECRRQFK-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol (CID 140996637) is 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol is CC1=CCC(C)(c2ccccc2O)C=C1.
What is the InChIKey of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is WKXSPUDECRRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-9,15H,10H2,1-2H3.
What are the key properties of 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol?
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 200.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 140996637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).