(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone

C14H11ClO3 — CID 106691322

IUPAC(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESO=C(c1ccoc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C14H11ClO3/c15-14-11(6-8-18-14)12(16)10-5-1-3-9-4-2-7-17-13(9)10/h1,3,5-6,8H,2,4,7H2
InChIKeyJDHFGYPSPMCSMP-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.49
Rot. Bonds2

About (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone

(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone (PubChem CID 106691322) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
PubChem CID106691322
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
SMILESO=C(c1ccoc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C14H11ClO3/c15-14-11(6-8-18-14)12(16)10-5-1-3-9-4-2-7-17-13(9)10/h1,3,5-6,8H,2,4,7H2
InChIKeyJDHFGYPSPMCSMP-UHFFFAOYSA-N
XLogP3.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
CID 105133667
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone (CID 106691322) is (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone is O=C(c1ccoc1Cl)c1cccc2c1OCCC2.
What is the InChIKey of (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
The InChIKey is JDHFGYPSPMCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-14-11(6-8-18-14)12(16)10-5-1-3-9-4-2-7-17-13(9)10/h1,3,5-6,8H,2,4,7H2.
What are the key properties of (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone?
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone has a molecular weight of 262.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone is sourced from PubChem (CID 106691322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).