1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone

C15H16O2 — CID 163497893

IUPAC1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C2=CC=CC(C)C2)ccc1O
InChIInChI=1S/C15H16O2/c1-10-4-3-5-12(8-10)13-6-7-15(17)14(9-13)11(2)16/h3-7,9-10,17H,8H2,1-2H3
InChIKeyCSGXZGKYPJODER-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.57
Rot. Bonds2

About 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone

1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone (PubChem CID 163497893) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
PubChem CID163497893
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C2=CC=CC(C)C2)ccc1O
InChIInChI=1S/C15H16O2/c1-10-4-3-5-12(8-10)13-6-7-15(17)14(9-13)11(2)16/h3-7,9-10,17H,8H2,1-2H3
InChIKeyCSGXZGKYPJODER-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone (CID 163497893) is 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone is CC(=O)c1cc(C2=CC=CC(C)C2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone?
The InChIKey is CSGXZGKYPJODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-4-3-5-12(8-10)13-6-7-15(17)14(9-13)11(2)16/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone?
1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone is sourced from PubChem (CID 163497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).