3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one

C13H11ClO3 — CID 71572293

IUPAC3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one
SMILESO=C1OCCC2=C1C(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)12-11-9(7-17-12)5-6-16-13(11)15/h1-4,12H,5-7H2
InChIKeyXOPWJNOZJUHMCW-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.65
Rot. Bonds1

About 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one

3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one (PubChem CID 71572293) has the molecular formula C13H11ClO3 and a molecular weight of 250.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one
PubChem CID71572293
Molecular FormulaC13H11ClO3
Molecular Weight250.68 g/mol
Exact Mass250.04
IUPAC Name3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one
SMILESO=C1OCCC2=C1C(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)12-11-9(7-17-12)5-6-16-13(11)15/h1-4,12H,5-7H2
InChIKeyXOPWJNOZJUHMCW-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
8-(4-chlorophenyl)-3,4-dihydroisochromen-1-one
CID 23344333
(2R)-2-(4-chlorophenyl)oxan-4-one
CID 131855614
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
2-(4-chlorophenyl)-4-methylidene-1,3-dioxepane
CID 86198264
(6S)-6-(4-chlorophenyl)-4-methylmorpholin-3-one
CID 67352258
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
2-(4-chlorophenyl)-4,7-dihydro-1,3-dioxepine
CID 12562263
4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 102567371
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
(5S)-5-(4-chlorophenyl)-3-hydroxyoxolane-2,4-dione
CID 54369894
2-(4-chlorophenyl)oxolane;formaldehyde
CID 169170436

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one?
The IUPAC name of 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one (CID 71572293) is 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one is O=C1OCCC2=C1C(c1ccc(Cl)cc1)OC2.
What is the InChIKey of 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one?
The InChIKey is XOPWJNOZJUHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)12-11-9(7-17-12)5-6-16-13(11)15/h1-4,12H,5-7H2.
What are the key properties of 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one?
3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one has a molecular weight of 250.68 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,3,6,7-tetrahydrofuro[3,4-c]pyran-4-one is sourced from PubChem (CID 71572293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).