2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid

C19H20O4 — CID 167765117

IUPAC2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccccc1-c1ccc(C2(CO)CC2)cc1)C(=O)O
InChIInChI=1S/C19H20O4/c1-13(18(21)22)23-17-5-3-2-4-16(17)14-6-8-15(9-7-14)19(12-20)10-11-19/h2-9,13,20H,10-12H2,1H3,(H,21,22)
InChIKeyHCMOSDGFPUFTPV-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid

2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid (PubChem CID 167765117) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid
PubChem CID167765117
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid
SMILESCC(Oc1ccccc1-c1ccc(C2(CO)CC2)cc1)C(=O)O
InChIInChI=1S/C19H20O4/c1-13(18(21)22)23-17-5-3-2-4-16(17)14-6-8-15(9-7-14)19(12-20)10-11-19/h2-9,13,20H,10-12H2,1H3,(H,21,22)
InChIKeyHCMOSDGFPUFTPV-UHFFFAOYSA-N
XLogP3.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid
CID 87055143
N-[(1R)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444251
(2R)-N-(methylcarbamoyl)-2-(2-phenylphenoxy)propanamide
CID 7986963
N-[(1S)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444250
2-[2-(5-methyl-1H-pyrazol-4-yl)phenoxy]propanoic acid
CID 122571803
2-(3-pyridin-4-yl-2-sulfanylphenoxy)propanoic acid
CID 135960883
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid
CID 167761329

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid (CID 167765117) is 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid is CC(Oc1ccccc1-c1ccc(C2(CO)CC2)cc1)C(=O)O.
What is the InChIKey of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid?
The InChIKey is HCMOSDGFPUFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13(18(21)22)23-17-5-3-2-4-16(17)14-6-8-15(9-7-14)19(12-20)10-11-19/h2-9,13,20H,10-12H2,1H3,(H,21,22).
What are the key properties of 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid?
2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenoxy]propanoic acid is sourced from PubChem (CID 167765117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).