(2,4-dibutylphenyl)-phenylmethanone

C21H26O — CID 154224122

IUPAC(2,4-dibutylphenyl)-phenylmethanone
SMILESCCCCc1ccc(C(=O)c2ccccc2)c(CCCC)c1
InChIInChI=1S/C21H26O/c1-3-5-10-17-14-15-20(19(16-17)11-6-4-2)21(22)18-12-8-7-9-13-18/h7-9,12-16H,3-6,10-11H2,1-2H3
InChIKeyBGTJKBRBOYHAFM-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.60
Rot. Bonds8

About (2,4-dibutylphenyl)-phenylmethanone

(2,4-dibutylphenyl)-phenylmethanone (PubChem CID 154224122) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is (2,4-dibutylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dibutylphenyl)-phenylmethanone
PubChem CID154224122
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name(2,4-dibutylphenyl)-phenylmethanone
SMILESCCCCc1ccc(C(=O)c2ccccc2)c(CCCC)c1
InChIInChI=1S/C21H26O/c1-3-5-10-17-14-15-20(19(16-17)11-6-4-2)21(22)18-12-8-7-9-13-18/h7-9,12-16H,3-6,10-11H2,1-2H3
InChIKeyBGTJKBRBOYHAFM-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
phenyl-(2-tridecylphenyl)methanone
CID 159151783
[4-(4-butoxybutyl)-2-hydroxyphenyl]-phenylmethanone
CID 58352220
(4-butyl-2-hydroxyphenyl)-phenylmethanone;(2-methylphenyl)carbamic acid
CID 18006890
(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
[2,4-bis(bromomethyl)phenyl]-phenylmethanone
CID 171474668
2-(3-benzoyloxy-2-methyl-3-oxopropyl)-4-butylbenzoic acid
CID 175108140
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965
4-butyl-2-hydroxybenzoic acid
CID 14895249
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutylphenyl)-phenylmethanone?
The IUPAC name of (2,4-dibutylphenyl)-phenylmethanone (CID 154224122) is (2,4-dibutylphenyl)-phenylmethanone.
What is the SMILES notation for (2,4-dibutylphenyl)-phenylmethanone?
The canonical SMILES for (2,4-dibutylphenyl)-phenylmethanone is CCCCc1ccc(C(=O)c2ccccc2)c(CCCC)c1.
What is the InChIKey of (2,4-dibutylphenyl)-phenylmethanone?
The InChIKey is BGTJKBRBOYHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-3-5-10-17-14-15-20(19(16-17)11-6-4-2)21(22)18-12-8-7-9-13-18/h7-9,12-16H,3-6,10-11H2,1-2H3.
What are the key properties of (2,4-dibutylphenyl)-phenylmethanone?
(2,4-dibutylphenyl)-phenylmethanone has a molecular weight of 294.44 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutylphenyl)-phenylmethanone is sourced from PubChem (CID 154224122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).