methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate

C17H18O4 — CID 22408189

IUPACmethyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-17(19,14-5-4-6-15(11-14)20-2)13-9-7-12(8-10-13)16(18)21-3/h4-11,19H,1-3H3
InChIKeyRBZVQDRSCDLWMM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.74
Rot. Bonds4

About methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate

methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate (PubChem CID 22408189) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
PubChem CID22408189
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H18O4/c1-17(19,14-5-4-6-15(11-14)20-2)13-9-7-12(8-10-13)16(18)21-3/h4-11,19H,1-3H3
InChIKeyRBZVQDRSCDLWMM-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
1-(3-methoxyphenyl)-1-naphthalen-2-ylethanol
CID 62787792
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 3-(4-tert-butylbenzoyl)oxybenzoate
CID 4981580
methyl 4-[(2R,3R)-2,3-dihydroxy-3-(4-methoxycarbonylphenyl)butan-2-yl]benzoate
CID 11132081
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
anisole;methyl 4-methoxybenzoate
CID 158093995
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
CID 10330711

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate?
The IUPAC name of methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate (CID 22408189) is methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate.
What is the SMILES notation for methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate?
The canonical SMILES for methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate is COC(=O)c1ccc(C(C)(O)c2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate?
The InChIKey is RBZVQDRSCDLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(19,14-5-4-6-15(11-14)20-2)13-9-7-12(8-10-13)16(18)21-3/h4-11,19H,1-3H3.
What are the key properties of methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate?
methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate has a molecular weight of 286.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-hydroxy-1-(3-methoxyphenyl)ethyl]benzoate is sourced from PubChem (CID 22408189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).