2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan

C14H14Cl2O3 — CID 106689725

IUPAC2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
SMILESCOc1ccc(CC(Cl)c2ccoc2Cl)cc1OC
InChIInChI=1S/C14H14Cl2O3/c1-17-12-4-3-9(8-13(12)18-2)7-11(15)10-5-6-19-14(10)16/h3-6,8,11H,7H2,1-2H3
InChIKeyDTFBVEFEDBLFQS-UHFFFAOYSA-N
MW301.17 g/mol
LogP4.47
Rot. Bonds5

About 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan

2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan (PubChem CID 106689725) has the molecular formula C14H14Cl2O3 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan.

Molecular Properties

Compound Name2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
PubChem CID106689725
Molecular FormulaC14H14Cl2O3
Molecular Weight301.17 g/mol
Exact Mass300.03
IUPAC Name2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
SMILESCOc1ccc(CC(Cl)c2ccoc2Cl)cc1OC
InChIInChI=1S/C14H14Cl2O3/c1-17-12-4-3-9(8-13(12)18-2)7-11(15)10-5-6-19-14(10)16/h3-6,8,11H,7H2,1-2H3
InChIKeyDTFBVEFEDBLFQS-UHFFFAOYSA-N
XLogP4.47
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1,4-difluorobenzene
CID 61084129
3-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-2-methylfuran
CID 63017419
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-1-methylbenzene
CID 63049684
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
CID 63016812
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan?
The IUPAC name of 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan (CID 106689725) is 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan.
What is the SMILES notation for 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan?
The canonical SMILES for 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan is COc1ccc(CC(Cl)c2ccoc2Cl)cc1OC.
What is the InChIKey of 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan?
The InChIKey is DTFBVEFEDBLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O3/c1-17-12-4-3-9(8-13(12)18-2)7-11(15)10-5-6-19-14(10)16/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan?
2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan has a molecular weight of 301.17 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan is sourced from PubChem (CID 106689725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).