[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone

C25H34O2 — CID 19975082

IUPAC[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
SMILESCCCCCCCCC(CC(C)O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H34O2/c1-3-4-5-6-7-9-16-22(19-20(2)26)23-17-12-13-18-24(23)25(27)21-14-10-8-11-15-21/h8,10-15,17-18,20,22,26H,3-7,9,16,19H2,1-2H3
InChIKeyPAQISRBNMYFTHY-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.52
Rot. Bonds12

About [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone

[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone (PubChem CID 19975082) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
PubChem CID19975082
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
SMILESCCCCCCCCC(CC(C)O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H34O2/c1-3-4-5-6-7-9-16-22(19-20(2)26)23-17-12-13-18-24(23)25(27)21-14-10-8-11-15-21/h8,10-15,17-18,20,22,26H,3-7,9,16,19H2,1-2H3
InChIKeyPAQISRBNMYFTHY-UHFFFAOYSA-N
XLogP6.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.52
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-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone
CID 54518256
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
2-icosan-9-ylbenzoate
CID 23205653
[2-(2-hydroxydodecoxy)phenyl]-phenylmethanone
CID 54446006
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
CID 139607341
[2-(3-chloro-2-hydroxynonyl)phenyl]-phenylmethanone
CID 57006747
3-(2-benzoylphenyl)butan-2-one
CID 69061840
phenyl-(2-tridecylphenyl)methanone
CID 159151783
3-docosan-11-ylphthalic acid
CID 67127150
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone (CID 19975082) is [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone is CCCCCCCCC(CC(C)O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone?
The InChIKey is PAQISRBNMYFTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-3-4-5-6-7-9-16-22(19-20(2)26)23-17-12-13-18-24(23)25(27)21-14-10-8-11-15-21/h8,10-15,17-18,20,22,26H,3-7,9,16,19H2,1-2H3.
What are the key properties of [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone?
[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone has a molecular weight of 366.55 g/mol, XLogP of 6.52, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 19975082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).