[2-(2-hydroxydodecyl)phenyl]-phenylmethanone

C25H34O2 — CID 54510367

IUPAC[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
SMILESCCCCCCCCCCC(O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-12-18-23(26)20-22-17-13-14-19-24(22)25(27)21-15-10-9-11-16-21/h9-11,13-17,19,23,26H,2-8,12,18,20H2,1H3
InChIKeyYIRDBJVNYIAMOQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.35
Rot. Bonds13

About [2-(2-hydroxydodecyl)phenyl]-phenylmethanone

[2-(2-hydroxydodecyl)phenyl]-phenylmethanone (PubChem CID 54510367) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is [2-(2-hydroxydodecyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
PubChem CID54510367
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
SMILESCCCCCCCCCCC(O)Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-12-18-23(26)20-22-17-13-14-19-24(22)25(27)21-15-10-9-11-16-21/h9-11,13-17,19,23,26H,2-8,12,18,20H2,1H3
InChIKeyYIRDBJVNYIAMOQ-UHFFFAOYSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
CID 23109182
[2-(3-chloro-2-hydroxynonyl)phenyl]-phenylmethanone
CID 57006747
phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
[2-(2-hydroxydodecoxy)phenyl]-phenylmethanone
CID 54446006
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-[2-(nitrosomethyl)phenyl]octan-2-ol
CID 54314605
benzoic acid;decan-5-ol
CID 71345643
[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
CID 19975082
1-naphthalen-1-ylnonan-2-ol
CID 19902465
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
1-butoxybutane;[2-(hydroxymethyl)phenyl]-phenylmethanone
CID 174672738

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxydodecyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-hydroxydodecyl)phenyl]-phenylmethanone (CID 54510367) is [2-(2-hydroxydodecyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-hydroxydodecyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-hydroxydodecyl)phenyl]-phenylmethanone is CCCCCCCCCCC(O)Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-hydroxydodecyl)phenyl]-phenylmethanone?
The InChIKey is YIRDBJVNYIAMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-12-18-23(26)20-22-17-13-14-19-24(22)25(27)21-15-10-9-11-16-21/h9-11,13-17,19,23,26H,2-8,12,18,20H2,1H3.
What are the key properties of [2-(2-hydroxydodecyl)phenyl]-phenylmethanone?
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone has a molecular weight of 366.55 g/mol, XLogP of 6.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxydodecyl)phenyl]-phenylmethanone is sourced from PubChem (CID 54510367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).