methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate

C16H15ClO3 — CID 46735461

IUPACmethyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-20-16(19)15-12(3-2-4-14(15)18)8-5-11-6-9-13(17)10-7-11/h2-4,6-7,9-10,18H,5,8H2,1H3
InChIKeyFAPNXNOCIOBNHD-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate

methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate (PubChem CID 46735461) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
PubChem CID46735461
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-20-16(19)15-12(3-2-4-14(15)18)8-5-11-6-9-13(17)10-7-11/h2-4,6-7,9-10,18H,5,8H2,1H3
InChIKeyFAPNXNOCIOBNHD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
CID 46735346
methyl 2-hydroxy-6-(2-oxoethyl)benzoate
CID 134973194
methyl 2,3-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]benzoate
CID 100964020
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
methyl 2-chloro-6-(3-chloropropyl)benzoate
CID 134649012
methyl 3-[3-(4-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 108745784
methyl 2-(2-phenylethyl)benzoate
CID 59701000
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
dimethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 177492677
methyl 2-bromo-4-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxylate
CID 23155322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate (CID 46735461) is methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate is COC(=O)c1c(O)cccc1CCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate?
The InChIKey is FAPNXNOCIOBNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-20-16(19)15-12(3-2-4-14(15)18)8-5-11-6-9-13(17)10-7-11/h2-4,6-7,9-10,18H,5,8H2,1H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate?
methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate has a molecular weight of 290.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate is sourced from PubChem (CID 46735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).