(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone

C25H33ClO2 — CID 71393448

IUPAC(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCc1ccc(O)c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C25H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(27)22(19-20)25(28)21-15-12-13-16-23(21)26/h12-13,15-19,27H,2-11,14H2,1H3
InChIKeyXEXCTCVLWHUFJH-UHFFFAOYSA-N
MW400.99 g/mol
LogP7.74
Rot. Bonds13

About (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone

(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone (PubChem CID 71393448) has the molecular formula C25H33ClO2 and a molecular weight of 400.99 g/mol. Its IUPAC name is (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
PubChem CID71393448
Molecular FormulaC25H33ClO2
Molecular Weight400.99 g/mol
Exact Mass400.22
IUPAC Name(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
SMILESCCCCCCCCCCCCc1ccc(O)c(C(=O)c2ccccc2Cl)c1
InChIInChI=1S/C25H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(27)22(19-20)25(28)21-15-12-13-16-23(21)26/h12-13,15-19,27H,2-11,14H2,1H3
InChIKeyXEXCTCVLWHUFJH-UHFFFAOYSA-N
XLogP7.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.99
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone 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

1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
4-hexyl-2-[(Z)-1-hydroxy-2-phenylethenyl]phenol
CID 5376500
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
CID 16741909
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
CID 23069369
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone (CID 71393448) is (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone is CCCCCCCCCCCCc1ccc(O)c(C(=O)c2ccccc2Cl)c1.
What is the InChIKey of (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone?
The InChIKey is XEXCTCVLWHUFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(27)22(19-20)25(28)21-15-12-13-16-23(21)26/h12-13,15-19,27H,2-11,14H2,1H3.
What are the key properties of (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone?
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone has a molecular weight of 400.99 g/mol, XLogP of 7.74, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone is sourced from PubChem (CID 71393448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).