2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran

C12H9Cl3O — CID 63436451

IUPAC2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3O/c1-7-4-5-16-12(7)11(15)8-2-3-9(13)10(14)6-8/h2-6,11H,1H3
InChIKeyPOAPEXYKXWCWGM-UHFFFAOYSA-N
MW275.56 g/mol
LogP5.22
Rot. Bonds2

About 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran

2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran (PubChem CID 63436451) has the molecular formula C12H9Cl3O and a molecular weight of 275.56 g/mol. Its IUPAC name is 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
PubChem CID63436451
Molecular FormulaC12H9Cl3O
Molecular Weight275.56 g/mol
Exact Mass273.97
IUPAC Name2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3O/c1-7-4-5-16-12(7)11(15)8-2-3-9(13)10(14)6-8/h2-6,11H,1H3
InChIKeyPOAPEXYKXWCWGM-UHFFFAOYSA-N
XLogP5.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-3-methylfuran
CID 63429398
5-[chloro-(3-methylfuran-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80501256
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222
6-chloro-7-[chloro-(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086051
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran
CID 106879675
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
CID 65238243
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran?
The IUPAC name of 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran (CID 63436451) is 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran?
The canonical SMILES for 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran is Cc1ccoc1C(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran?
The InChIKey is POAPEXYKXWCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3O/c1-7-4-5-16-12(7)11(15)8-2-3-9(13)10(14)6-8/h2-6,11H,1H3.
What are the key properties of 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran?
2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran has a molecular weight of 275.56 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran is sourced from PubChem (CID 63436451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).