benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate

C17H18O4 — CID 54541379

IUPACbenzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(C[C@@H](O)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-15-9-5-8-14(10-15)11-16(18)17(19)21-12-13-6-3-2-4-7-13/h2-10,16,18H,11-12H2,1H3/t16-/m1/s1
InChIKeyZDKVPIPHVOBVDE-MRXNPFEDSA-N
MW286.33 g/mol
LogP2.34
Rot. Bonds6

About benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate

benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate (PubChem CID 54541379) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
PubChem CID54541379
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namebenzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
SMILESCOc1cccc(C[C@@H](O)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-15-9-5-8-14(10-15)11-16(18)17(19)21-12-13-6-3-2-4-7-13/h2-10,16,18H,11-12H2,1H3/t16-/m1/s1
InChIKeyZDKVPIPHVOBVDE-MRXNPFEDSA-N
XLogP2.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
benzyl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate
CID 86346378
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxypropanoate
CID 23238101
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
benzyl N-amino-N-(3-methoxyphenyl)carbamate
CID 70405892
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate?
The IUPAC name of benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate (CID 54541379) is benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate is COc1cccc(C[C@@H](O)C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate?
The InChIKey is ZDKVPIPHVOBVDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-15-9-5-8-14(10-15)11-16(18)17(19)21-12-13-6-3-2-4-7-13/h2-10,16,18H,11-12H2,1H3/t16-/m1/s1.
What are the key properties of benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate?
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 54541379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).