5-(3-methylphenyl)furan-2-carboxylate

C12H9O3- — CID 6957364

IUPAC5-(3-methylphenyl)furan-2-carboxylate
SMILESCc1cccc(-c2ccc(C(=O)[O-])o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)/p-1
InChIKeyNQJYIMVBENPXIB-UHFFFAOYSA-M
MW201.20 g/mol
LogP1.62
Rot. Bonds2

About 5-(3-methylphenyl)furan-2-carboxylate

5-(3-methylphenyl)furan-2-carboxylate (PubChem CID 6957364) has the molecular formula C12H9O3- and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-(3-methylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name5-(3-methylphenyl)furan-2-carboxylate
PubChem CID6957364
Molecular FormulaC12H9O3-
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name5-(3-methylphenyl)furan-2-carboxylate
SMILESCc1cccc(-c2ccc(C(=O)[O-])o2)c1
InChIInChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)/p-1
InChIKeyNQJYIMVBENPXIB-UHFFFAOYSA-M
XLogP1.62
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
CID 54267096
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 173108133
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
5-(3-hydroxyphenyl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142532375
N-[N'-[[amino-[[5-(2-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methylphenyl)furan-2-carboxamide
CID 136509951
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
CID 62633648
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)furan-2-carboxylate?
The IUPAC name of 5-(3-methylphenyl)furan-2-carboxylate (CID 6957364) is 5-(3-methylphenyl)furan-2-carboxylate.
What is the SMILES notation for 5-(3-methylphenyl)furan-2-carboxylate?
The canonical SMILES for 5-(3-methylphenyl)furan-2-carboxylate is Cc1cccc(-c2ccc(C(=O)[O-])o2)c1.
What is the InChIKey of 5-(3-methylphenyl)furan-2-carboxylate?
The InChIKey is NQJYIMVBENPXIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)/p-1.
What are the key properties of 5-(3-methylphenyl)furan-2-carboxylate?
5-(3-methylphenyl)furan-2-carboxylate has a molecular weight of 201.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)furan-2-carboxylate is sourced from PubChem (CID 6957364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).