(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate

C15H16O4 — CID 58189999

IUPAC(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
SMILESCOc1cc(C(C)C)ccc1OC(=O)c1ccco1
InChIInChI=1S/C15H16O4/c1-10(2)11-6-7-12(14(9-11)17-3)19-15(16)13-5-4-8-18-13/h4-10H,1-3H3
InChIKeyKFPAMDOTUFEVRU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.63
Rot. Bonds4

About (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate

(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate (PubChem CID 58189999) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
PubChem CID58189999
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
SMILESCOc1cc(C(C)C)ccc1OC(=O)c1ccco1
InChIInChI=1S/C15H16O4/c1-10(2)11-6-7-12(14(9-11)17-3)19-15(16)13-5-4-8-18-13/h4-10H,1-3H3
InChIKeyKFPAMDOTUFEVRU-UHFFFAOYSA-N
XLogP3.63
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
[4-[3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 2818039
[4-[(3R)-3-(furan-2-carbonylamino)butyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6976374
[4-(hydroxyiminomethyl)-2-methoxyphenyl] furan-2-carboxylate
CID 23822868
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
(2-bromo-4-butan-2-ylphenyl) furan-2-carboxylate
CID 17187790
dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 34256749
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
(4-bromo-2-methoxycarbonylphenyl) furan-2-carboxylate
CID 4289720
[4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 29401774
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate?
The IUPAC name of (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate (CID 58189999) is (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate.
What is the SMILES notation for (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate?
The canonical SMILES for (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate is COc1cc(C(C)C)ccc1OC(=O)c1ccco1.
What is the InChIKey of (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate?
The InChIKey is KFPAMDOTUFEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(2)11-6-7-12(14(9-11)17-3)19-15(16)13-5-4-8-18-13/h4-10H,1-3H3.
What are the key properties of (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate?
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate is sourced from PubChem (CID 58189999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).