methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate

C16H15ClO3 — CID 70423773

IUPACmethyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(O)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-20-16(19)9-3-11-2-8-15(18)14(10-11)12-4-6-13(17)7-5-12/h2,4-8,10,18H,3,9H2,1H3
InChIKeyTZHLJNLJFBCLKQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.82
Rot. Bonds4

About methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate

methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate (PubChem CID 70423773) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
PubChem CID70423773
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(O)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-20-16(19)9-3-11-2-8-15(18)14(10-11)12-4-6-13(17)7-5-12/h2,4-8,10,18H,3,9H2,1H3
InChIKeyTZHLJNLJFBCLKQ-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 3084638
methyl 3-[4-[5-amino-2-[4-(4-aminophenyl)phenyl]phenyl]phenyl]propanoate
CID 151862340
methyl 3-(3-chloro-4-hydroxy-5-naphthalen-2-ylphenyl)propanoate
CID 22558879
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
methyl 3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 165488514
(2R)-2-[3,5-dichloro-4-[[3-(4-chlorophenyl)-4-hydroxyphenyl]methyl]phenoxy]propanoic acid
CID 169189072
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate?
The IUPAC name of methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate (CID 70423773) is methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate?
The canonical SMILES for methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate is COC(=O)CCc1ccc(O)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate?
The InChIKey is TZHLJNLJFBCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-20-16(19)9-3-11-2-8-15(18)14(10-11)12-4-6-13(17)7-5-12/h2,4-8,10,18H,3,9H2,1H3.
What are the key properties of methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate?
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate has a molecular weight of 290.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate is sourced from PubChem (CID 70423773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).