(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone

C9H7ClO3 — CID 106691362

IUPAC(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccoc1Cl
InChIInChI=1S/C9H7ClO3/c10-9-6(3-5-13-9)8(11)7-2-1-4-12-7/h2-3,5H,1,4H2
InChIKeyDMVPIPKBVVRGQJ-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.42
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone

(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 106691362) has the molecular formula C9H7ClO3 and a molecular weight of 198.61 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID106691362
Molecular FormulaC9H7ClO3
Molecular Weight198.61 g/mol
Exact Mass198.01
IUPAC Name(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccoc1Cl
InChIInChI=1S/C9H7ClO3/c10-9-6(3-5-13-9)8(11)7-2-1-4-12-7/h2-3,5H,1,4H2
InChIKeyDMVPIPKBVVRGQJ-UHFFFAOYSA-N
XLogP2.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
2,3-dihydrofuran-5-yl-(4-methyl-2-pyridinyl)methanone
CID 102650937
2,3-dihydrofuran-5-yl-(2-methylpyrimidin-4-yl)methanone
CID 102651082
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 106691062
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
cyclopenten-1-yl(2,3-dihydrofuran-5-yl)methanone
CID 103448067
(2-amino-3-methoxyphenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 107469137

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone (CID 106691362) is (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is DMVPIPKBVVRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3/c10-9-6(3-5-13-9)8(11)7-2-1-4-12-7/h2-3,5H,1,4H2.
What are the key properties of (2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 198.61 g/mol, XLogP of 2.42, 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)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 106691362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).