(3-chlorophenyl) propyl carbonate

C10H11ClO3 — CID 91713194

IUPAC(3-chlorophenyl) propyl carbonate
SMILESCCCOC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-2-6-13-10(12)14-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3
InChIKeyKEQIOYBAGDEFIW-UHFFFAOYSA-N
MW214.65 g/mol
LogP3.27
Rot. Bonds3

About (3-chlorophenyl) propyl carbonate

(3-chlorophenyl) propyl carbonate (PubChem CID 91713194) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (3-chlorophenyl) propyl carbonate.

Molecular Properties

Compound Name(3-chlorophenyl) propyl carbonate
PubChem CID91713194
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(3-chlorophenyl) propyl carbonate
SMILESCCCOC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-2-6-13-10(12)14-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3
InChIKeyKEQIOYBAGDEFIW-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[2-(3-chlorophenoxy)-2-oxoethoxy]acetate
CID 91699344
2-(3-chloro-N-ethylanilino)ethyl (3-chlorophenyl) carbonate
CID 54060935
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663
(3-chlorophenyl) 2,2,2-trichloroethyl carbonate
CID 91713201
(3-chlorophenyl) 2-methylpentanoate
CID 78777176
[2-(3-chlorophenyl)-2-oxoethyl] propyl carbonate
CID 141034666
4-O-(3-chlorophenyl) 1-O-octyl (E)-but-2-enedioate
CID 91734269
10-O-(3-chlorophenyl) 1-O-nonyl decanedioate
CID 91729529
10-O-(3-chlorophenyl) 1-O-octyl decanedioate
CID 91729484
(3-chlorophenyl) 2-bromopropanoate
CID 87059196
2-chloroethyl (3-methylphenyl) carbonate
CID 91704252
(3-chlorophenyl) 2,2-dimethylbutanoate
CID 174788639

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) propyl carbonate?
The IUPAC name of (3-chlorophenyl) propyl carbonate (CID 91713194) is (3-chlorophenyl) propyl carbonate.
What is the SMILES notation for (3-chlorophenyl) propyl carbonate?
The canonical SMILES for (3-chlorophenyl) propyl carbonate is CCCOC(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) propyl carbonate?
The InChIKey is KEQIOYBAGDEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-6-13-10(12)14-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3.
What are the key properties of (3-chlorophenyl) propyl carbonate?
(3-chlorophenyl) propyl carbonate has a molecular weight of 214.65 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) propyl carbonate is sourced from PubChem (CID 91713194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).