3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate

C15H12ClO3- — CID 4614539

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
SMILESO=C([O-])CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19)/p-1
InChIKeyMXZMXRGCRQAVJR-UHFFFAOYSA-M
MW275.71 g/mol
LogP2.32
Rot. Bonds4

About 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate

3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate (PubChem CID 4614539) has the molecular formula C15H12ClO3- and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
PubChem CID4614539
Molecular FormulaC15H12ClO3-
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
SMILESO=C([O-])CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19)/p-1
InChIKeyMXZMXRGCRQAVJR-UHFFFAOYSA-M
XLogP2.32
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 974812
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
[(3R)-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 10203666
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
CID 7160797
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
1-bromoethyl-[(3R)-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropyl]-methyl-propan-2-ylazanium
CID 163771935
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 7476976
4-oxo-3-phenylpentanoate
CID 78435368
2-(2-hydroxyphenyl)butanedioate
CID 78423930

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate (CID 4614539) is 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate is O=C([O-])CC(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate?
The InChIKey is MXZMXRGCRQAVJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13ClO3/c16-11-6-7-14(17)13(8-11)12(9-15(18)19)10-4-2-1-3-5-10/h1-8,12,17H,9H2,(H,18,19)/p-1.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate?
3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate has a molecular weight of 275.71 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate is sourced from PubChem (CID 4614539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).