2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone

C26H29ClO2 — CID 58050818

IUPAC2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone
SMILESCCCCCCCCc1ccc(Cl)c(CC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C26H29ClO2/c1-2-3-4-5-6-7-10-19-13-14-24(27)22(15-19)18-26(29)23-16-20-11-8-9-12-21(20)17-25(23)28/h8-9,11-17,28H,2-7,10,18H2,1H3
InChIKeySLBKNPYXFYESIP-UHFFFAOYSA-N
MW408.97 g/mol
LogP7.53
Rot. Bonds10

About 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone

2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone (PubChem CID 58050818) has the molecular formula C26H29ClO2 and a molecular weight of 408.97 g/mol. Its IUPAC name is 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone
PubChem CID58050818
Molecular FormulaC26H29ClO2
Molecular Weight408.97 g/mol
Exact Mass408.19
IUPAC Name2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone
SMILESCCCCCCCCc1ccc(Cl)c(CC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C26H29ClO2/c1-2-3-4-5-6-7-10-19-13-14-24(27)22(15-19)18-26(29)23-16-20-11-8-9-12-21(20)17-25(23)28/h8-9,11-17,28H,2-7,10,18H2,1H3
InChIKeySLBKNPYXFYESIP-UHFFFAOYSA-N
XLogP7.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone 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-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
2-ethyl-4-heptylphenol
CID 58289223
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
1-(3-bromo-2-hydroxy-5-nonylphenyl)-2-phenylethanone
CID 21430134
4-nonyl-2-pentylphenol
CID 86162849
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2,4-dibutyl-1-chlorobenzene
CID 18417644
2-ethyl-5-nonylphenol
CID 54394722
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
CID 16741909
3-hydroxynaphthalene-2-carboxylic acid;octanamide
CID 22901759
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone (CID 58050818) is 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone is CCCCCCCCc1ccc(Cl)c(CC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone?
The InChIKey is SLBKNPYXFYESIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClO2/c1-2-3-4-5-6-7-10-19-13-14-24(27)22(15-19)18-26(29)23-16-20-11-8-9-12-21(20)17-25(23)28/h8-9,11-17,28H,2-7,10,18H2,1H3.
What are the key properties of 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone?
2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone has a molecular weight of 408.97 g/mol, XLogP of 7.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-octylphenyl)-1-(3-hydroxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 58050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).