3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid

C18H20O4 — CID 11381046

IUPAC3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESO=C(O)CC(O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c19-16(12-18(20)21)9-6-14-7-10-17(11-8-14)22-13-15-4-2-1-3-5-15/h1-5,7-8,10-11,16,19H,6,9,12-13H2,(H,20,21)
InChIKeyUJUUEVBUPLACTJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.03
Rot. Bonds8

About 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid

3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid (PubChem CID 11381046) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
PubChem CID11381046
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
SMILESO=C(O)CC(O)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O4/c19-16(12-18(20)21)9-6-14-7-10-17(11-8-14)22-13-15-4-2-1-3-5-15/h1-5,7-8,10-11,16,19H,6,9,12-13H2,(H,20,21)
InChIKeyUJUUEVBUPLACTJ-UHFFFAOYSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
methyl 3-hydroxy-4-methyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666710
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
CID 82185811

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid?
The IUPAC name of 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid (CID 11381046) is 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid.
What is the SMILES notation for 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid?
The canonical SMILES for 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid is O=C(O)CC(O)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid?
The InChIKey is UJUUEVBUPLACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c19-16(12-18(20)21)9-6-14-7-10-17(11-8-14)22-13-15-4-2-1-3-5-15/h1-5,7-8,10-11,16,19H,6,9,12-13H2,(H,20,21).
What are the key properties of 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid?
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid is sourced from PubChem (CID 11381046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).