3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran

C14H15ClO2 — CID 61084840

IUPAC3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
SMILESCOc1ccc(C(Cl)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO2/c1-9-8-11(4-5-13(9)16-3)14(15)12-6-7-17-10(12)2/h4-8,14H,1-3H3
InChIKeyUMUWQPOGJXYTGE-UHFFFAOYSA-N
MW250.72 g/mol
LogP4.23
Rot. Bonds3

About 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran

3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran (PubChem CID 61084840) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
PubChem CID61084840
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
SMILESCOc1ccc(C(Cl)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO2/c1-9-8-11(4-5-13(9)16-3)14(15)12-6-7-17-10(12)2/h4-8,14H,1-3H3
InChIKeyUMUWQPOGJXYTGE-UHFFFAOYSA-N
XLogP4.23
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-2-methylfuran
CID 61086437
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
CID 61085111

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran (CID 61084840) is 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran is COc1ccc(C(Cl)c2ccoc2C)cc1C.
What is the InChIKey of 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran?
The InChIKey is UMUWQPOGJXYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-9-8-11(4-5-13(9)16-3)14(15)12-6-7-17-10(12)2/h4-8,14H,1-3H3.
What are the key properties of 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran?
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran has a molecular weight of 250.72 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 61084840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).