(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid

C17H18O4 — CID 12962939

IUPAC(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C17H18O4/c1-2-15(11-3-7-13(18)8-4-11)16(17(20)21)12-5-9-14(19)10-6-12/h3-10,15-16,18-19H,2H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyYSQRGPRONAPBRA-CVEARBPZSA-N
MW286.33 g/mol
LogP3.46
Rot. Bonds5

About (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid

(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid (PubChem CID 12962939) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
PubChem CID12962939
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
SMILESCC[C@H](c1ccc(O)cc1)[C@@H](C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C17H18O4/c1-2-15(11-3-7-13(18)8-4-11)16(17(20)21)12-5-9-14(19)10-6-12/h3-10,15-16,18-19H,2H2,1H3,(H,20,21)/t15-,16+/m1/s1
InChIKeyYSQRGPRONAPBRA-CVEARBPZSA-N
XLogP3.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Enterolactone
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3-(4-Hydroxyphenyl)propionic acid
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4-Hydroxyphenylpyruvic Acid
CID 979
3-(3'-Hydroxyphenyl)propionic acid
CID 91
4,4'-Bis(4-hydroxyphenyl)valeric acid
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4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
CID 83494
Bisphenol E
CID 608116

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid?
The IUPAC name of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid (CID 12962939) is (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid?
The canonical SMILES for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid is CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)O)c1ccc(O)cc1.
What is the InChIKey of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid?
The InChIKey is YSQRGPRONAPBRA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-15(11-3-7-13(18)8-4-11)16(17(20)21)12-5-9-14(19)10-6-12/h3-10,15-16,18-19H,2H2,1H3,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid?
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 12962939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).