(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate

C16H16O5 — CID 71987439

IUPAC(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc(OC(=O)C2CC2c2ccco2)cc1OC
InChIInChI=1S/C16H16O5/c1-18-14-6-5-10(8-15(14)19-2)21-16(17)12-9-11(12)13-4-3-7-20-13/h3-8,11-12H,9H2,1-2H3
InChIKeyCWAYYQZBZKNPLM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.01
Rot. Bonds5

About (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate

(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 71987439) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID71987439
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc(OC(=O)C2CC2c2ccco2)cc1OC
InChIInChI=1S/C16H16O5/c1-18-14-6-5-10(8-15(14)19-2)21-16(17)12-9-11(12)13-4-3-7-20-13/h3-8,11-12H,9H2,1-2H3
InChIKeyCWAYYQZBZKNPLM-UHFFFAOYSA-N
XLogP3.01
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71884345
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 99588473
(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 47449984
cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97016443
(4-phenylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71884358
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 95588006
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide
CID 96528991
(3,4-dimethoxyphenyl) acetate
CID 593001
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 95588070
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate (CID 71987439) is (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate is COc1ccc(OC(=O)C2CC2c2ccco2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CWAYYQZBZKNPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-18-14-6-5-10(8-15(14)19-2)21-16(17)12-9-11(12)13-4-3-7-20-13/h3-8,11-12H,9H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71987439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).