1-(5-methylfuran-2-yl)-2,2-diphenylethanone

C19H16O2 — CID 125472505

IUPAC1-(5-methylfuran-2-yl)-2,2-diphenylethanone
SMILESCc1ccc(C(=O)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H16O2/c1-14-12-13-17(21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3
InChIKeyIDHAXFYLSUKZRK-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.60
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-2,2-diphenylethanone

1-(5-methylfuran-2-yl)-2,2-diphenylethanone (PubChem CID 125472505) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2,2-diphenylethanone
PubChem CID125472505
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-(5-methylfuran-2-yl)-2,2-diphenylethanone
SMILESCc1ccc(C(=O)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C19H16O2/c1-14-12-13-17(21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3
InChIKeyIDHAXFYLSUKZRK-UHFFFAOYSA-N
XLogP4.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-(5-methylfuran-2-yl)ethanone
CID 116827193
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
3,3,3-trifluoro-1-(5-methylfuran-2-yl)-2-(trifluoromethyl)propan-1-one
CID 103309400
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2,2-diphenylethanone (CID 125472505) is 1-(5-methylfuran-2-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2,2-diphenylethanone is Cc1ccc(C(=O)C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2,2-diphenylethanone?
The InChIKey is IDHAXFYLSUKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14-12-13-17(21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2,2-diphenylethanone?
1-(5-methylfuran-2-yl)-2,2-diphenylethanone has a molecular weight of 276.34 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2,2-diphenylethanone is sourced from PubChem (CID 125472505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).