2-(3-chlorophenyl)ethyl pentanoate

C13H17ClO2 — CID 141256814

IUPAC2-(3-chlorophenyl)ethyl pentanoate
SMILESCCCCC(=O)OCCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-2-3-7-13(15)16-9-8-11-5-4-6-12(14)10-11/h4-6,10H,2-3,7-9H2,1H3
InChIKeyOISLAURTSQKBRN-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-chlorophenyl)ethyl pentanoate

2-(3-chlorophenyl)ethyl pentanoate (PubChem CID 141256814) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl pentanoate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl pentanoate
PubChem CID141256814
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(3-chlorophenyl)ethyl pentanoate
SMILESCCCCC(=O)OCCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-2-3-7-13(15)16-9-8-11-5-4-6-12(14)10-11/h4-6,10H,2-3,7-9H2,1H3
InChIKeyOISLAURTSQKBRN-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-O-[2-(3-chlorophenyl)ethyl] 1-O-heptyl butanedioate
CID 91716065
4-O-[(3-chlorophenyl)methyl] 1-O-pentadecyl butanedioate
CID 91712459
5-O-[2-(3-bromophenyl)ethyl] 1-O-butyl pentanedioate
CID 91727895
2-methylsulfanylethyl 3-(3-chlorophenyl)propanoate
CID 78832630
5-O-[2-(3-bromophenyl)ethyl] 1-O-undecyl pentanedioate
CID 91727901
5-O-[2-(3-bromophenyl)ethyl] 1-O-dodecyl pentanedioate
CID 91727902
1-[4-[2-(3-chlorophenyl)ethoxy]phenyl]hexan-1-one
CID 90996383
3-(3-tert-butylphenyl)propyl pentanoate
CID 118040230
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
1-O-decyl 5-O-(2-phenylethyl) pentanedioate
CID 91703319
1-O-nonyl 5-O-(2-phenylethyl) pentanedioate
CID 91703318
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl pentanoate?
The IUPAC name of 2-(3-chlorophenyl)ethyl pentanoate (CID 141256814) is 2-(3-chlorophenyl)ethyl pentanoate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl pentanoate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl pentanoate is CCCCC(=O)OCCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl pentanoate?
The InChIKey is OISLAURTSQKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-2-3-7-13(15)16-9-8-11-5-4-6-12(14)10-11/h4-6,10H,2-3,7-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)ethyl pentanoate?
2-(3-chlorophenyl)ethyl pentanoate has a molecular weight of 240.73 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl pentanoate is sourced from PubChem (CID 141256814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).