(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone

C15H16O2 — CID 150290031

IUPAC(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1=CC=CC(O)(C(=O)c2ccccc2)C1C
InChIInChI=1S/C15H16O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3
InChIKeyGHJXLPSSJVKUAJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.75
Rot. Bonds2

About (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone

(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone (PubChem CID 150290031) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
PubChem CID150290031
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone
SMILESCC1=CC=CC(O)(C(=O)c2ccccc2)C1C
InChIInChI=1S/C15H16O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3
InChIKeyGHJXLPSSJVKUAJ-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The IUPAC name of (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone (CID 150290031) is (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone.
What is the SMILES notation for (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The canonical SMILES for (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone is CC1=CC=CC(O)(C(=O)c2ccccc2)C1C.
What is the InChIKey of (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
The InChIKey is GHJXLPSSJVKUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-7-6-10-15(17,12(11)2)14(16)13-8-4-3-5-9-13/h3-10,12,17H,1-2H3.
What are the key properties of (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone?
(1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone has a molecular weight of 228.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-5,6-dimethylcyclohexa-2,4-dien-1-yl)-phenylmethanone is sourced from PubChem (CID 150290031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).