benzhydryl 1-benzofuran-2-carboxylate

C22H16O3 — CID 7210554

IUPACbenzhydryl 1-benzofuran-2-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H16O3/c23-22(20-15-18-13-7-8-14-19(18)24-20)25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H
InChIKeyMDSQDTMBSSDYTC-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.38
Rot. Bonds4

About benzhydryl 1-benzofuran-2-carboxylate

benzhydryl 1-benzofuran-2-carboxylate (PubChem CID 7210554) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is benzhydryl 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namebenzhydryl 1-benzofuran-2-carboxylate
PubChem CID7210554
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Namebenzhydryl 1-benzofuran-2-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C22H16O3/c23-22(20-15-18-13-7-8-14-19(18)24-20)25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H
InChIKeyMDSQDTMBSSDYTC-UHFFFAOYSA-N
XLogP5.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193834
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193796
benzhydryl 3,5-diaminobenzoate
CID 102404480
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 1-benzofuran-2-carboxylate
CID 7210580
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
CID 171632715
CID 171632715
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637

Frequently Asked Questions

What is the IUPAC name of benzhydryl 1-benzofuran-2-carboxylate?
The IUPAC name of benzhydryl 1-benzofuran-2-carboxylate (CID 7210554) is benzhydryl 1-benzofuran-2-carboxylate.
What is the SMILES notation for benzhydryl 1-benzofuran-2-carboxylate?
The canonical SMILES for benzhydryl 1-benzofuran-2-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of benzhydryl 1-benzofuran-2-carboxylate?
The InChIKey is MDSQDTMBSSDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-22(20-15-18-13-7-8-14-19(18)24-20)25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H.
What are the key properties of benzhydryl 1-benzofuran-2-carboxylate?
benzhydryl 1-benzofuran-2-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7210554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).