(4-chlorophenoxy)methyl propanoate

C10H11ClO3 — CID 174802053

IUPAC(4-chlorophenoxy)methyl propanoate
SMILESCCC(=O)OCOc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-10(12)14-7-13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyCSPLHGZBADYRKQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.63
Rot. Bonds4

About (4-chlorophenoxy)methyl propanoate

(4-chlorophenoxy)methyl propanoate (PubChem CID 174802053) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (4-chlorophenoxy)methyl propanoate.

Molecular Properties

Compound Name(4-chlorophenoxy)methyl propanoate
PubChem CID174802053
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(4-chlorophenoxy)methyl propanoate
SMILESCCC(=O)OCOc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-10(12)14-7-13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKeyCSPLHGZBADYRKQ-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)propyl propanoate
CID 174445519
[4-(4-chlorophenyl)phenyl] propaneperoxoate
CID 18544343
N-(4-chlorophenoxy)propanamide
CID 87714410
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
2-(4-chlorophenoxy)ethyl hexanoate
CID 13257641
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-chloroethyl 3-(4-chlorophenoxy)propanoate
CID 86256389
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
diethyl 2-[3-(4-chlorophenoxy)propyl]propanedioate
CID 2232654
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)methyl propanoate?
The IUPAC name of (4-chlorophenoxy)methyl propanoate (CID 174802053) is (4-chlorophenoxy)methyl propanoate.
What is the SMILES notation for (4-chlorophenoxy)methyl propanoate?
The canonical SMILES for (4-chlorophenoxy)methyl propanoate is CCC(=O)OCOc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)methyl propanoate?
The InChIKey is CSPLHGZBADYRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-10(12)14-7-13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of (4-chlorophenoxy)methyl propanoate?
(4-chlorophenoxy)methyl propanoate has a molecular weight of 214.65 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)methyl propanoate is sourced from PubChem (CID 174802053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).