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

C14H15ClO — CID 61082154

IUPAC3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
SMILESCc1ccc(C(Cl)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO/c1-9-4-5-12(8-10(9)2)14(15)13-6-7-16-11(13)3/h4-8,14H,1-3H3
InChIKeyPBRFNXJNGJQBEM-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.53
Rot. Bonds2

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

3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran (PubChem CID 61082154) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
PubChem CID61082154
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
SMILESCc1ccc(C(Cl)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO/c1-9-4-5-12(8-10(9)2)14(15)13-6-7-16-11(13)3/h4-8,14H,1-3H3
InChIKeyPBRFNXJNGJQBEM-UHFFFAOYSA-N
XLogP4.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.53
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

3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
CID 61085601
5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61085783
3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
CID 61085111
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086
3-[chloro-(2,4,5-trifluorophenyl)methyl]-2-methylfuran
CID 103303625
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
4-[chloro-(4-iodophenyl)methyl]-1,2-dimethylbenzene
CID 63427367
1-[chloro-(3,4-dimethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429571
1-[chloro-(3,4-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 63430827
5-[chloro-(3,4-dimethylphenyl)methyl]-1H-pyrazole
CID 114988756

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran (CID 61082154) is 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran is Cc1ccc(C(Cl)c2ccoc2C)cc1C.
What is the InChIKey of 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran?
The InChIKey is PBRFNXJNGJQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-9-4-5-12(8-10(9)2)14(15)13-6-7-16-11(13)3/h4-8,14H,1-3H3.
What are the key properties of 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran?
3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran has a molecular weight of 234.73 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 61082154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).