(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid

C23H22O4 — CID 122390059

IUPAC(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C23H22O4/c24-23(25)22(27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17H2,(H,24,25)/t22-/m1/s1
InChIKeyBPYVSPXCPDRFDO-JOCHJYFZSA-N
MW362.43 g/mol
LogP4.48
Rot. Bonds9

About (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid

(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 122390059) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID122390059
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)OCc1ccccc1
InChIInChI=1S/C23H22O4/c24-23(25)22(27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17H2,(H,24,25)/t22-/m1/s1
InChIKeyBPYVSPXCPDRFDO-JOCHJYFZSA-N
XLogP4.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
2-phenylmethoxy-3-[4-(10H-pyrido[3,2-b][1,5]naphthyridin-5-ylmethoxy)phenyl]propanoic acid
CID 22742976
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 90468820
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid (CID 122390059) is (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid is O=C(O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)OCc1ccccc1.
What is the InChIKey of (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is BPYVSPXCPDRFDO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22O4/c24-23(25)22(27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17H2,(H,24,25)/t22-/m1/s1.
What are the key properties of (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 122390059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).