2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid

C18H20O4 — CID 67882455

IUPAC2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20O4/c1-2-16(18(20)21)17(19)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11,16-17,19H,2,12H2,1H3,(H,20,21)
InChIKeyOFLGGJFALFKWPR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.41
Rot. Bonds7

About 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid

2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid (PubChem CID 67882455) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
PubChem CID67882455
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H20O4/c1-2-16(18(20)21)17(19)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11,16-17,19H,2,12H2,1H3,(H,20,21)
InChIKeyOFLGGJFALFKWPR-UHFFFAOYSA-N
XLogP3.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
[(1S)-3-ethoxy-3-oxo-1-(3-phenylmethoxyphenyl)propyl]azanium
CID 7046970

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid (CID 67882455) is 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid is CCC(C(=O)O)C(O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid?
The InChIKey is OFLGGJFALFKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-16(18(20)21)17(19)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11,16-17,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid?
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 67882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).