1-methyl-4-phenylcyclohexa-2,4-dien-1-ol

C13H14O — CID 70019499

IUPAC1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H14O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
InChIKeyPXQGDXJEBVNMBG-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.78
Rot. Bonds1

About 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol

1-methyl-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 70019499) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID70019499
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C13H14O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
InChIKeyPXQGDXJEBVNMBG-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol (CID 70019499) is 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is PXQGDXJEBVNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3.
What are the key properties of 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol?
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70019499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).