(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone

C21H26O3 — CID 23109188

IUPAC(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
SMILESCCCCc1cc(C(=O)c2ccccc2)c(O)c(CCCC)c1O
InChIInChI=1S/C21H26O3/c1-3-5-10-16-14-18(19(22)15-11-8-7-9-12-15)21(24)17(20(16)23)13-6-4-2/h7-9,11-12,14,23-24H,3-6,10,13H2,1-2H3
InChIKeyIUFDARGJFIJOLT-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.01
Rot. Bonds8

About (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone

(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone (PubChem CID 23109188) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
PubChem CID23109188
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
SMILESCCCCc1cc(C(=O)c2ccccc2)c(O)c(CCCC)c1O
InChIInChI=1S/C21H26O3/c1-3-5-10-16-14-18(19(22)15-11-8-7-9-12-15)21(24)17(20(16)23)13-6-4-2/h7-9,11-12,14,23-24H,3-6,10,13H2,1-2H3
InChIKeyIUFDARGJFIJOLT-UHFFFAOYSA-N
XLogP5.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3,5-dibutyl-2,4-dihydroxyphenyl)-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

(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965
(4-heptyl-2,3,5-trihydroxyphenyl)-phenylmethanone
CID 174471855
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
3-butyl-5-(4-chlorobenzoyl)-2,6-dihydroxybenzoic acid
CID 87763873
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
phenyl-(2-tridecylphenyl)methanone
CID 159151783
phenyl-(2,3,4,5-tetrapropylphenyl)methanone
CID 134864036
(2-butylphenyl)-(4-hydroxy-3,5-diiodophenyl)methanone
CID 174842319
(2-butyl-3,4,5,6-tetraethylphenyl)-phenylmethanone
CID 15370927
4-benzoyl-6-(3-hexyl-4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586585
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590

Frequently Asked Questions

What is the IUPAC name of (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone?
The IUPAC name of (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone (CID 23109188) is (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone?
The canonical SMILES for (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone is CCCCc1cc(C(=O)c2ccccc2)c(O)c(CCCC)c1O.
What is the InChIKey of (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone?
The InChIKey is IUFDARGJFIJOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-3-5-10-16-14-18(19(22)15-11-8-7-9-12-15)21(24)17(20(16)23)13-6-4-2/h7-9,11-12,14,23-24H,3-6,10,13H2,1-2H3.
What are the key properties of (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone?
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone has a molecular weight of 326.44 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 23109188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).