3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid

C23H22O5 — CID 142645838

IUPAC3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O5/c24-20(14-23(25)26)19-11-12-21(27-15-17-7-3-1-4-8-17)22(13-19)28-16-18-9-5-2-6-10-18/h1-13,20,24H,14-16H2,(H,25,26)
InChIKeyFKHSCJKVCFGYDB-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.35
Rot. Bonds9

About 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid

3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid (PubChem CID 142645838) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
PubChem CID142645838
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22O5/c24-20(14-23(25)26)19-11-12-21(27-15-17-7-3-1-4-8-17)22(13-19)28-16-18-9-5-2-6-10-18/h1-13,20,24H,14-16H2,(H,25,26)
InChIKeyFKHSCJKVCFGYDB-UHFFFAOYSA-N
XLogP4.35
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(1R)-1-[3,4-bis(phenylmethoxy)phenyl]-2-nitroethanol
CID 15313691
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
(2S)-2-benzamido-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 54568424
(2R,3S)-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 13036356
3-amino-3-(4-hydroxy-3-phenylmethoxyphenyl)propanoic acid
CID 117463513
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
(3R)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid
CID 7022682
methyl (2S)-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 67862955
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydroxypropanoate
CID 171867271
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid?
The IUPAC name of 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid (CID 142645838) is 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid?
The canonical SMILES for 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid is O=C(O)CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid?
The InChIKey is FKHSCJKVCFGYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c24-20(14-23(25)26)19-11-12-21(27-15-17-7-3-1-4-8-17)22(13-19)28-16-18-9-5-2-6-10-18/h1-13,20,24H,14-16H2,(H,25,26).
What are the key properties of 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid?
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid has a molecular weight of 378.42 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 142645838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).