(2-hydroxy-4-octoxyphenyl)-phenylmethanone

C21H26O3 — CID 15797

IUPAC(2-hydroxy-4-octoxyphenyl)-phenylmethanone
SMILESCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
InChIKeyQUAMTGJKVDWJEQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.36
Rot. Bonds10

About (2-hydroxy-4-octoxyphenyl)-phenylmethanone

(2-hydroxy-4-octoxyphenyl)-phenylmethanone (PubChem CID 15797) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2-hydroxy-4-octoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-octoxyphenyl)-phenylmethanone
PubChem CID15797
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(2-hydroxy-4-octoxyphenyl)-phenylmethanone
SMILESCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
InChIKeyQUAMTGJKVDWJEQ-UHFFFAOYSA-N
XLogP5.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-hydroxy-4-octoxyphenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Genistein
CID 5280961
2-Hydroxy-4-methoxybenzophenone
CID 4632
Apigenin
CID 5280443
Diosmetin
CID 5281612
Phloretin
CID 4788
Hesperetin
CID 72281
Naringenin
CID 439246
Luteolin
CID 5280445
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Daidzin
CID 107971

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-octoxyphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-octoxyphenyl)-phenylmethanone (CID 15797) is (2-hydroxy-4-octoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-octoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-octoxyphenyl)-phenylmethanone is CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-octoxyphenyl)-phenylmethanone?
The InChIKey is QUAMTGJKVDWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3.
What are the key properties of (2-hydroxy-4-octoxyphenyl)-phenylmethanone?
(2-hydroxy-4-octoxyphenyl)-phenylmethanone has a molecular weight of 326.44 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-octoxyphenyl)-phenylmethanone is sourced from PubChem (CID 15797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).