1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid

C12H14O4 — CID 149153047

IUPAC1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(O)CC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O4/c13-11(14)12(15)6-10(7-12)16-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,14)
InChIKeyRMJNLUPNXGOKTC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.18
Rot. Bonds4

About 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid

1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid (PubChem CID 149153047) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
PubChem CID149153047
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(O)CC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O4/c13-11(14)12(15)6-10(7-12)16-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,14)
InChIKeyRMJNLUPNXGOKTC-UHFFFAOYSA-N
XLogP1.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 163720538
1-[[hydroxy(methyl)boranyl]amino]-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 58601841
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid (CID 149153047) is 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid is O=C(O)C1(O)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid?
The InChIKey is RMJNLUPNXGOKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-11(14)12(15)6-10(7-12)16-8-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,13,14).
What are the key properties of 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid?
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 149153047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).