1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid

C15H18O4 — CID 163720538

IUPAC1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
SMILESC=C(OC)C1(C(=O)O)CC(OCc2ccccc2)C1
InChIInChI=1S/C15H18O4/c1-11(18-2)15(14(16)17)8-13(9-15)19-10-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,17)
InChIKeyKRDVLFMFOZTIEX-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.60
Rot. Bonds6

About 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid

1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid (PubChem CID 163720538) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
PubChem CID163720538
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid
SMILESC=C(OC)C1(C(=O)O)CC(OCc2ccccc2)C1
InChIInChI=1S/C15H18O4/c1-11(18-2)15(14(16)17)8-13(9-15)19-10-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,17)
InChIKeyKRDVLFMFOZTIEX-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
1-[[hydroxy(methyl)boranyl]amino]-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 58601841
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
(1-amino-3-phenylmethoxycyclobutyl)methanol;hydrochloride
CID 121282495
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
methyl (2R,8R)-2-phenylmethoxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 164890666

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid (CID 163720538) is 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid is C=C(OC)C1(C(=O)O)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid?
The InChIKey is KRDVLFMFOZTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-11(18-2)15(14(16)17)8-13(9-15)19-10-12-6-4-3-5-7-12/h3-7,13H,1,8-10H2,2H3,(H,16,17).
What are the key properties of 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid?
1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethenyl)-3-phenylmethoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 163720538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).