(3-chlorophenyl) 5-hydroxypentanoate

C11H13ClO3 — CID 174546388

IUPAC(3-chlorophenyl) 5-hydroxypentanoate
SMILESO=C(CCCCO)Oc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3/c12-9-4-3-5-10(8-9)15-11(14)6-1-2-7-13/h3-5,8,13H,1-2,6-7H2
InChIKeyDYDQQXPRCADKPJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.41
Rot. Bonds5

About (3-chlorophenyl) 5-hydroxypentanoate

(3-chlorophenyl) 5-hydroxypentanoate (PubChem CID 174546388) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is (3-chlorophenyl) 5-hydroxypentanoate.

Molecular Properties

Compound Name(3-chlorophenyl) 5-hydroxypentanoate
PubChem CID174546388
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Name(3-chlorophenyl) 5-hydroxypentanoate
SMILESO=C(CCCCO)Oc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3/c12-9-4-3-5-10(8-9)15-11(14)6-1-2-7-13/h3-5,8,13H,1-2,6-7H2
InChIKeyDYDQQXPRCADKPJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
1-O-(3-chlorophenyl) 5-O-naphthalen-2-yl pentanedioate
CID 91718930
(3-formylphenyl) 5-hydroxypentanoate
CID 87707014
10-O-(3-chlorophenyl) 1-O-nonyl decanedioate
CID 91729529
10-O-(3-chlorophenyl) 1-O-octyl decanedioate
CID 91729484
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
1-O-(3-chlorophenyl) 5-O-(2-methylphenyl) pentanedioate
CID 91733443
1-O-(3-chlorophenyl) 5-O-(3-methylbutan-2-yl) pentanedioate
CID 91709174
5-O-(2-chloro-6-fluorophenyl) 1-O-(3-chlorophenyl) pentanedioate
CID 91692622
1-O-(3-chlorophenyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91736060
1-O-(3-chlorophenyl) 5-O-(2-propan-2-yloxyphenyl) pentanedioate
CID 91704648
1-O-(3-chlorophenyl) 5-O-pent-4-en-2-yl pentanedioate
CID 91709173

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 5-hydroxypentanoate?
The IUPAC name of (3-chlorophenyl) 5-hydroxypentanoate (CID 174546388) is (3-chlorophenyl) 5-hydroxypentanoate.
What is the SMILES notation for (3-chlorophenyl) 5-hydroxypentanoate?
The canonical SMILES for (3-chlorophenyl) 5-hydroxypentanoate is O=C(CCCCO)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) 5-hydroxypentanoate?
The InChIKey is DYDQQXPRCADKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c12-9-4-3-5-10(8-9)15-11(14)6-1-2-7-13/h3-5,8,13H,1-2,6-7H2.
What are the key properties of (3-chlorophenyl) 5-hydroxypentanoate?
(3-chlorophenyl) 5-hydroxypentanoate has a molecular weight of 228.68 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 5-hydroxypentanoate is sourced from PubChem (CID 174546388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).