5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate

C15H19ClO2 — CID 174373098

IUPAC5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate
SMILESCCC(=O)OC.Clc1ccc(C2C3CCC32)cc1
InChIInChI=1S/C11H11Cl.C4H8O2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)11;1-3-4(5)6-2/h1-4,9-11H,5-6H2;3H2,1-2H3
InChIKeyYFAXNQGDYFFUOG-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.03
Rot. Bonds2

About 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate

5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate (PubChem CID 174373098) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate.

Molecular Properties

Compound Name5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate
PubChem CID174373098
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate
SMILESCCC(=O)OC.Clc1ccc(C2C3CCC32)cc1
InChIInChI=1S/C11H11Cl.C4H8O2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)11;1-3-4(5)6-2/h1-4,9-11H,5-6H2;3H2,1-2H3
InChIKeyYFAXNQGDYFFUOG-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetate
CID 42576017
methyl 2-[(4S)-4-(4-chlorophenyl)-3-oxocyclohexen-1-yl]acetate
CID 125480644
dimethyl (4R,6R)-5-(4-chlorophenyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
CID 6976360
methyl (4R)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 724373
CID 87773794
CID 87773794
methyl 2-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]acetate
CID 10423122
methyl (2R,5S)-5-(4-chlorophenyl)piperidine-2-carboxylate
CID 96530360
methyl propanoate;trichlorostannane
CID 174538862
bicyclo[3.1.0]hexan-6-amine;methyl propanoate
CID 174649590
methyl (2R)-2-(4-chlorophenyl)-4-propylcyclohexane-1-carboxylate
CID 171633291
methyl (4R)-4,6-bis(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 124541452
methyl 2-[[2-(4-chlorophenyl)azepane-1-carbonyl]amino]acetate
CID 50947815

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate?
The IUPAC name of 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate (CID 174373098) is 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate.
What is the SMILES notation for 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate?
The canonical SMILES for 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate is CCC(=O)OC.Clc1ccc(C2C3CCC32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate?
The InChIKey is YFAXNQGDYFFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl.C4H8O2/c12-8-3-1-7(2-4-8)11-9-5-6-10(9)11;1-3-4(5)6-2/h1-4,9-11H,5-6H2;3H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate?
5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate has a molecular weight of 266.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)bicyclo[2.1.0]pentane;methyl propanoate is sourced from PubChem (CID 174373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).