(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone

C12H8Cl2O2 — CID 43463771

IUPAC(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H8Cl2O2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6H,1H3
InChIKeyHTXOBFBLFHGBTD-UHFFFAOYSA-N
MW255.10 g/mol
LogP4.13
Rot. Bonds2

About (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone

(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 43463771) has the molecular formula C12H8Cl2O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
PubChem CID43463771
Molecular FormulaC12H8Cl2O2
Molecular Weight255.10 g/mol
Exact Mass253.99
IUPAC Name(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H8Cl2O2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6H,1H3
InChIKeyHTXOBFBLFHGBTD-UHFFFAOYSA-N
XLogP4.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone (CID 43463771) is (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is HTXOBFBLFHGBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2/c1-7-2-5-11(16-7)12(15)8-3-4-9(13)10(14)6-8/h2-6H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone?
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 255.10 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).