(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate

C16H13ClO2 — CID 91719094

IUPAC(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1CC1c1ccccc1
InChIInChI=1S/C16H13ClO2/c17-12-6-8-13(9-7-12)19-16(18)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeySZRYQNUWYRWEOV-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.05
Rot. Bonds3

About (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate

(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate (PubChem CID 91719094) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
PubChem CID91719094
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)C1CC1c1ccccc1
InChIInChI=1S/C16H13ClO2/c17-12-6-8-13(9-7-12)19-16(18)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2
InChIKeySZRYQNUWYRWEOV-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.05
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

phenyl 2-phenylcyclobutane-1-carboxylate
CID 143786245
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
diphenyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate
CID 153329333
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate?
The IUPAC name of (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate (CID 91719094) is (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate is O=C(Oc1ccc(Cl)cc1)C1CC1c1ccccc1.
What is the InChIKey of (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate?
The InChIKey is SZRYQNUWYRWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c17-12-6-8-13(9-7-12)19-16(18)15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2.
What are the key properties of (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate?
(4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate has a molecular weight of 272.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 91719094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).