2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan

C15H16Cl2O3 — CID 106688988

IUPAC2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
SMILESCCOc1ccc(C(Cl)c2ccc(Cl)o2)cc1OCC
InChIInChI=1S/C15H16Cl2O3/c1-3-18-11-6-5-10(9-13(11)19-4-2)15(17)12-7-8-14(16)20-12/h5-9,15H,3-4H2,1-2H3
InChIKeyROEKKASIQOBDOZ-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.06
Rot. Bonds6

About 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan

2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan (PubChem CID 106688988) has the molecular formula C15H16Cl2O3 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
PubChem CID106688988
Molecular FormulaC15H16Cl2O3
Molecular Weight315.20 g/mol
Exact Mass314.05
IUPAC Name2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
SMILESCCOc1ccc(C(Cl)c2ccc(Cl)o2)cc1OCC
InChIInChI=1S/C15H16Cl2O3/c1-3-18-11-6-5-10(9-13(11)19-4-2)15(17)12-7-8-14(16)20-12/h5-9,15H,3-4H2,1-2H3
InChIKeyROEKKASIQOBDOZ-UHFFFAOYSA-N
XLogP5.06
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.06
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

4-[chloro(phenyl)methyl]-1,2-diethoxybenzene
CID 61080986
(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
CID 106684609
4-(1-chloro-2-ethylbutyl)-1,2-diethoxybenzene
CID 55199459
4-(1-chloro-3-methylbutyl)-1,2-diethoxybenzene
CID 63433848
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
4-(1-chloro-3,3,3-trifluoropropyl)-1,2-diethoxybenzene
CID 61084159
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
CID 63434186
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
[(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 106694388
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan?
The IUPAC name of 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan (CID 106688988) is 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan.
What is the SMILES notation for 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan?
The canonical SMILES for 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan is CCOc1ccc(C(Cl)c2ccc(Cl)o2)cc1OCC.
What is the InChIKey of 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan?
The InChIKey is ROEKKASIQOBDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2O3/c1-3-18-11-6-5-10(9-13(11)19-4-2)15(17)12-7-8-14(16)20-12/h5-9,15H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan?
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan has a molecular weight of 315.20 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan is sourced from PubChem (CID 106688988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).