(2S)-2,3-bis(3-methoxyphenyl)propanoic acid

C17H18O4 — CID 42051269

IUPAC(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](C(=O)O)c2cccc(OC)c2)c1
InChIInChI=1S/C17H18O4/c1-20-14-7-3-5-12(9-14)10-16(17(18)19)13-6-4-8-15(11-13)21-2/h3-9,11,16H,10H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyZLDXFADKKNHPRT-INIZCTEOSA-N
MW286.33 g/mol
LogP3.11
Rot. Bonds6

About (2S)-2,3-bis(3-methoxyphenyl)propanoic acid

(2S)-2,3-bis(3-methoxyphenyl)propanoic acid (PubChem CID 42051269) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2,3-bis(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
PubChem CID42051269
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](C(=O)O)c2cccc(OC)c2)c1
InChIInChI=1S/C17H18O4/c1-20-14-7-3-5-12(9-14)10-16(17(18)19)13-6-4-8-15(11-13)21-2/h3-9,11,16H,10H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyZLDXFADKKNHPRT-INIZCTEOSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2,3-bis(3-methoxyphenyl)propanoic acid (CID 42051269) is (2S)-2,3-bis(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2,3-bis(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2,3-bis(3-methoxyphenyl)propanoic acid is COc1cccc(C[C@H](C(=O)O)c2cccc(OC)c2)c1.
What is the InChIKey of (2S)-2,3-bis(3-methoxyphenyl)propanoic acid?
The InChIKey is ZLDXFADKKNHPRT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-14-7-3-5-12(9-14)10-16(17(18)19)13-6-4-8-15(11-13)21-2/h3-9,11,16H,10H2,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2,3-bis(3-methoxyphenyl)propanoic acid?
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 42051269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).