3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran

C14H15ClO2 — CID 61085111

IUPAC3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
SMILESCCOc1ccc(C(Cl)c2ccoc2C)cc1
InChIInChI=1S/C14H15ClO2/c1-3-16-12-6-4-11(5-7-12)14(15)13-8-9-17-10(13)2/h4-9,14H,3H2,1-2H3
InChIKeySWDIMVZDHHEPFV-UHFFFAOYSA-N
MW250.72 g/mol
LogP4.31
Rot. Bonds4

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

3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran (PubChem CID 61085111) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran.

Molecular Properties

Compound Name3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
PubChem CID61085111
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
SMILESCCOc1ccc(C(Cl)c2ccoc2C)cc1
InChIInChI=1S/C14H15ClO2/c1-3-16-12-6-4-11(5-7-12)14(15)13-8-9-17-10(13)2/h4-9,14H,3H2,1-2H3
InChIKeySWDIMVZDHHEPFV-UHFFFAOYSA-N
XLogP4.31
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
CID 61085601
3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154
2-[chloro-(4-ethoxyphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63429360
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene
CID 62661101
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
4-bromo-2-[chloro-(4-ethoxyphenyl)methyl]-1-iodobenzene
CID 114033411
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
1-(1-chloro-2,2-dimethylpropyl)-4-ethoxybenzene
CID 63429151
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-methylfuran
CID 61083480

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran?
The IUPAC name of 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran (CID 61085111) is 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran.
What is the SMILES notation for 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran?
The canonical SMILES for 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran is CCOc1ccc(C(Cl)c2ccoc2C)cc1.
What is the InChIKey of 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran?
The InChIKey is SWDIMVZDHHEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-3-16-12-6-4-11(5-7-12)14(15)13-8-9-17-10(13)2/h4-9,14H,3H2,1-2H3.
What are the key properties of 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran?
3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran has a molecular weight of 250.72 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran is sourced from PubChem (CID 61085111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).