1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone

C24H24O6 — CID 158730287

IUPAC1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O
InChIInChI=1S/3C8H8O2/c1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10/h3*2-5,10H,1H3
InChIKeyIKZWPEQVFFGBCM-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.78
Rot. Bonds3

About 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone

1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone (PubChem CID 158730287) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone
PubChem CID158730287
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone
SMILESCC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O
InChIInChI=1S/3C8H8O2/c1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10/h3*2-5,10H,1H3
InChIKeyIKZWPEQVFFGBCM-UHFFFAOYSA-N
XLogP4.78
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone (CID 158730287) is 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone is CC(=O)c1ccc(O)cc1.CC(=O)c1cccc(O)c1.CC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone?
The InChIKey is IKZWPEQVFFGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8O2/c1-6(9)7-2-4-8(10)5-3-7;1-6(9)7-3-2-4-8(10)5-7;1-6(9)7-4-2-3-5-8(7)10/h3*2-5,10H,1H3.
What are the key properties of 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone?
1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone has a molecular weight of 408.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)ethanone;1-(3-hydroxyphenyl)ethanone;1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 158730287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).