methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate

C15H16O3 — CID 20750206

IUPACmethyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C15H16O3/c1-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17-3/h4-10H,1-3H3
InChIKeyUIKSLGSKSXUFMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.86
Rot. Bonds3

About methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate

methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate (PubChem CID 20750206) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
PubChem CID20750206
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C15H16O3/c1-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17-3/h4-10H,1-3H3
InChIKeyUIKSLGSKSXUFMU-UHFFFAOYSA-N
XLogP3.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate
CID 155632242
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
methyl 5-[4-[(2-sulfanylacetyl)amino]phenyl]furan-2-carboxylate
CID 25257380
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
methyl 5-[4-(2,2-dicyanoethenylamino)phenyl]furan-2-carboxylate
CID 168542399
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
5-[4-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenyl]furan-2-carboxylic acid
CID 171865067
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate (CID 20750206) is methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate?
The InChIKey is UIKSLGSKSXUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)11-4-6-12(7-5-11)13-8-9-14(18-13)15(16)17-3/h4-10H,1-3H3.
What are the key properties of methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate?
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate is sourced from PubChem (CID 20750206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).