methyl 4-(5-propan-2-ylfuran-2-yl)benzoate

C15H16O3 — CID 155632242

IUPACmethyl 4-(5-propan-2-ylfuran-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(C)C)o2)cc1
InChIInChI=1S/C15H16O3/c1-10(2)13-8-9-14(18-13)11-4-6-12(7-5-11)15(16)17-3/h4-10H,1-3H3
InChIKeyGPGVFZIGTINBRB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.86
Rot. Bonds3

About methyl 4-(5-propan-2-ylfuran-2-yl)benzoate

methyl 4-(5-propan-2-ylfuran-2-yl)benzoate (PubChem CID 155632242) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-(5-propan-2-ylfuran-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-propan-2-ylfuran-2-yl)benzoate
PubChem CID155632242
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 4-(5-propan-2-ylfuran-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C(C)C)o2)cc1
InChIInChI=1S/C15H16O3/c1-10(2)13-8-9-14(18-13)11-4-6-12(7-5-11)15(16)17-3/h4-10H,1-3H3
InChIKeyGPGVFZIGTINBRB-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

methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
[(2R)-2-hydroxypropyl]-[2-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methylazaniumyl]ethyl]azanium
CID 8637015
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-(1,2-oxazol-5-yl)benzoate
CID 44541917
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-propan-2-ylfuran-2-yl)benzoate?
The IUPAC name of methyl 4-(5-propan-2-ylfuran-2-yl)benzoate (CID 155632242) is methyl 4-(5-propan-2-ylfuran-2-yl)benzoate.
What is the SMILES notation for methyl 4-(5-propan-2-ylfuran-2-yl)benzoate?
The canonical SMILES for methyl 4-(5-propan-2-ylfuran-2-yl)benzoate is COC(=O)c1ccc(-c2ccc(C(C)C)o2)cc1.
What is the InChIKey of methyl 4-(5-propan-2-ylfuran-2-yl)benzoate?
The InChIKey is GPGVFZIGTINBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)13-8-9-14(18-13)11-4-6-12(7-5-11)15(16)17-3/h4-10H,1-3H3.
What are the key properties of methyl 4-(5-propan-2-ylfuran-2-yl)benzoate?
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate 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 4-(5-propan-2-ylfuran-2-yl)benzoate is sourced from PubChem (CID 155632242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).