1,1'-biphenyl;methyl furan-2-carboxylate

C18H16O3 — CID 159970386

IUPAC1,1'-biphenyl;methyl furan-2-carboxylate
SMILESCOC(=O)c1ccco1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8-6(7)5-3-2-4-9-5/h1-10H;2-4H,1H3
InChIKeyOELUVJPNVDDUON-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.42
Rot. Bonds2

About 1,1'-biphenyl;methyl furan-2-carboxylate

1,1'-biphenyl;methyl furan-2-carboxylate (PubChem CID 159970386) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1,1'-biphenyl;methyl furan-2-carboxylate.

Molecular Properties

Compound Name1,1'-biphenyl;methyl furan-2-carboxylate
PubChem CID159970386
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1,1'-biphenyl;methyl furan-2-carboxylate
SMILESCOC(=O)c1ccco1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8-6(7)5-3-2-4-9-5/h1-10H;2-4H,1H3
InChIKeyOELUVJPNVDDUON-UHFFFAOYSA-N
XLogP4.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(triphenyl-λ4-sulfanyl) furan-2-carboxylate
CID 164863149
furan-2-carboxylic acid;methanol
CID 70611195
(4-bromo-2-methoxycarbonylphenyl) furan-2-carboxylate
CID 4289720
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
methane;propan-2-yl furan-2-carboxylate
CID 157166715
methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
CID 141376921
furan-2-carboxylic acid;methanamine
CID 82372767
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
bromomethyl furan-2-carboxylate
CID 54363056
methyl N-(furan-2-carbonylamino)carbamate
CID 909545

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;methyl furan-2-carboxylate?
The IUPAC name of 1,1'-biphenyl;methyl furan-2-carboxylate (CID 159970386) is 1,1'-biphenyl;methyl furan-2-carboxylate.
What is the SMILES notation for 1,1'-biphenyl;methyl furan-2-carboxylate?
The canonical SMILES for 1,1'-biphenyl;methyl furan-2-carboxylate is COC(=O)c1ccco1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;methyl furan-2-carboxylate?
The InChIKey is OELUVJPNVDDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8-6(7)5-3-2-4-9-5/h1-10H;2-4H,1H3.
What are the key properties of 1,1'-biphenyl;methyl furan-2-carboxylate?
1,1'-biphenyl;methyl furan-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;methyl furan-2-carboxylate is sourced from PubChem (CID 159970386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).