decyl 2-[4-(2-chlorophenyl)phenyl]acetate

C24H31ClO2 — CID 121325059

IUPACdecyl 2-[4-(2-chlorophenyl)phenyl]acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C24H31ClO2/c1-2-3-4-5-6-7-8-11-18-27-24(26)19-20-14-16-21(17-15-20)22-12-9-10-13-23(22)25/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKeyJWFAONIRARBOTH-UHFFFAOYSA-N
MW386.96 g/mol
LogP7.23
Rot. Bonds12

About decyl 2-[4-(2-chlorophenyl)phenyl]acetate

decyl 2-[4-(2-chlorophenyl)phenyl]acetate (PubChem CID 121325059) has the molecular formula C24H31ClO2 and a molecular weight of 386.96 g/mol. Its IUPAC name is decyl 2-[4-(2-chlorophenyl)phenyl]acetate.

Molecular Properties

Compound Namedecyl 2-[4-(2-chlorophenyl)phenyl]acetate
PubChem CID121325059
Molecular FormulaC24H31ClO2
Molecular Weight386.96 g/mol
Exact Mass386.20
IUPAC Namedecyl 2-[4-(2-chlorophenyl)phenyl]acetate
SMILESCCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C24H31ClO2/c1-2-3-4-5-6-7-8-11-18-27-24(26)19-20-14-16-21(17-15-20)22-12-9-10-13-23(22)25/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKeyJWFAONIRARBOTH-UHFFFAOYSA-N
XLogP7.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.96
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decyl 2-(4-phenylphenyl)acetate
CID 121280824
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
octyl 4-(2-chlorophenyl)benzoate
CID 13072337
decyl 2-[4-(4-propylphenyl)phenyl]acetate
CID 121329523
octyl 2-phenylacetate;oxophosphanium
CID 160645862
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
1-(butoxymethyl)-4-(2-chlorophenyl)benzene
CID 3066109
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
2-[4-(2-chlorophenyl)phenyl]-N-hydroxyacetamide
CID 53315904

Frequently Asked Questions

What is the IUPAC name of decyl 2-[4-(2-chlorophenyl)phenyl]acetate?
The IUPAC name of decyl 2-[4-(2-chlorophenyl)phenyl]acetate (CID 121325059) is decyl 2-[4-(2-chlorophenyl)phenyl]acetate.
What is the SMILES notation for decyl 2-[4-(2-chlorophenyl)phenyl]acetate?
The canonical SMILES for decyl 2-[4-(2-chlorophenyl)phenyl]acetate is CCCCCCCCCCOC(=O)Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of decyl 2-[4-(2-chlorophenyl)phenyl]acetate?
The InChIKey is JWFAONIRARBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClO2/c1-2-3-4-5-6-7-8-11-18-27-24(26)19-20-14-16-21(17-15-20)22-12-9-10-13-23(22)25/h9-10,12-17H,2-8,11,18-19H2,1H3.
What are the key properties of decyl 2-[4-(2-chlorophenyl)phenyl]acetate?
decyl 2-[4-(2-chlorophenyl)phenyl]acetate has a molecular weight of 386.96 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[4-(2-chlorophenyl)phenyl]acetate is sourced from PubChem (CID 121325059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).