1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid

C14H18O4 — CID 79425525

IUPAC1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C14H18O4/c15-12(8-14(6-7-14)13(16)17)10-18-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,17)
InChIKeyJPGGYROXARDIGK-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.82
Rot. Bonds7

About 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid (PubChem CID 79425525) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
PubChem CID79425525
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C14H18O4/c15-12(8-14(6-7-14)13(16)17)10-18-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,17)
InChIKeyJPGGYROXARDIGK-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxy-3-phenylmethoxypropyl)oxane-4-carboxylic acid
CID 79422847
1-(2-hydroxy-3-phenylmethoxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 113247766
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
1-benzylcyclopropane-1-carboxylic acid
CID 562561
CID 172760983
CID 172760983
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3S)-3-hydroxy-4-phenylmethoxybutanehydrazide
CID 54516558
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid (CID 79425525) is 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid is O=C(O)C1(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid?
The InChIKey is JPGGYROXARDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c15-12(8-14(6-7-14)13(16)17)10-18-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,16,17).
What are the key properties of 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylmethoxypropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79425525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).