1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid

C16H20O5 — CID 117472035

IUPAC1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC2)c1OC1CCOCC1
InChIInChI=1S/C16H20O5/c1-19-13-4-2-3-12(16(7-8-16)15(17)18)14(13)21-11-5-9-20-10-6-11/h2-4,11H,5-10H2,1H3,(H,17,18)
InChIKeyAPUOGPQAOVWYFB-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.37
Rot. Bonds5

About 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid

1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117472035) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117472035
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)CC2)c1OC1CCOCC1
InChIInChI=1S/C16H20O5/c1-19-13-4-2-3-12(16(7-8-16)15(17)18)14(13)21-11-5-9-20-10-6-11/h2-4,11H,5-10H2,1H3,(H,17,18)
InChIKeyAPUOGPQAOVWYFB-UHFFFAOYSA-N
XLogP2.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493403
1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117493421
3-[2-(1-isocyanatocyclopropyl)-6-methoxyphenoxy]oxolane
CID 117440099
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 105497539
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117417903
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid (CID 117472035) is 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid is COc1cccc(C2(C(=O)O)CC2)c1OC1CCOCC1.
What is the InChIKey of 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is APUOGPQAOVWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-19-13-4-2-3-12(16(7-8-16)15(17)18)14(13)21-11-5-9-20-10-6-11/h2-4,11H,5-10H2,1H3,(H,17,18).
What are the key properties of 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid?
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117472035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).