(2,5-dichlorophenyl) 3-cyclopentylpropanoate

C14H16Cl2O2 — CID 91712465

IUPAC(2,5-dichlorophenyl) 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-11-6-7-12(16)13(9-11)18-14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyYJPDNIHJAYFJHA-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.87
Rot. Bonds4

About (2,5-dichlorophenyl) 3-cyclopentylpropanoate

(2,5-dichlorophenyl) 3-cyclopentylpropanoate (PubChem CID 91712465) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl) 3-cyclopentylpropanoate.

Molecular Properties

Compound Name(2,5-dichlorophenyl) 3-cyclopentylpropanoate
PubChem CID91712465
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name(2,5-dichlorophenyl) 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-11-6-7-12(16)13(9-11)18-14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2
InChIKeyYJPDNIHJAYFJHA-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dichlorophenyl) 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 2672160
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
(2,3-dimethylphenyl) 3-cyclopentylpropanoate
CID 91711335
[10-(3-cyclohexylpropanoyloxy)anthracen-9-yl] 3-cyclohexylpropanoate
CID 145382727
10-O-(2,5-dichlorophenyl) 1-O-(2-methylpropyl) decanedioate
CID 91729193
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
(2,4,6-triiodophenyl) 3-cyclopentylpropanoate
CID 15222634
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
10-O-(2,5-dichlorophenyl) 1-O-pentyl decanedioate
CID 91729248
(2,5-dichlorophenyl) 2-ethylbutanoate
CID 91695920

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl) 3-cyclopentylpropanoate?
The IUPAC name of (2,5-dichlorophenyl) 3-cyclopentylpropanoate (CID 91712465) is (2,5-dichlorophenyl) 3-cyclopentylpropanoate.
What is the SMILES notation for (2,5-dichlorophenyl) 3-cyclopentylpropanoate?
The canonical SMILES for (2,5-dichlorophenyl) 3-cyclopentylpropanoate is O=C(CCC1CCCC1)Oc1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl) 3-cyclopentylpropanoate?
The InChIKey is YJPDNIHJAYFJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-11-6-7-12(16)13(9-11)18-14(17)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2.
What are the key properties of (2,5-dichlorophenyl) 3-cyclopentylpropanoate?
(2,5-dichlorophenyl) 3-cyclopentylpropanoate has a molecular weight of 287.19 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl) 3-cyclopentylpropanoate is sourced from PubChem (CID 91712465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).