4-(chloromethyl)-1,2-diethoxybenzene

C11H15ClO2 — CID 2434831

IUPAC4-(chloromethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(CCl)cc1OCC
InChIInChI=1S/C11H15ClO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyTXBSWQWDLFJQMU-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.22
Rot. Bonds5

About 4-(chloromethyl)-1,2-diethoxybenzene

4-(chloromethyl)-1,2-diethoxybenzene (PubChem CID 2434831) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 4-(chloromethyl)-1,2-diethoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1,2-diethoxybenzene
PubChem CID2434831
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name4-(chloromethyl)-1,2-diethoxybenzene
SMILESCCOc1ccc(CCl)cc1OCC
InChIInChI=1S/C11H15ClO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyTXBSWQWDLFJQMU-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.22
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

4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
4-(chloromethyl)-1,2-dioctoxybenzene
CID 86084009
4-bromo-2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 63535667
1,2-diethoxy-4-propylbenzene
CID 3995471
(3,4-diethoxyphenyl)methylazanium
CID 7019296
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
CID 105372168
5-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-2-methyltetrazole
CID 107044026
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
CID 63863238

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1,2-diethoxybenzene?
The IUPAC name of 4-(chloromethyl)-1,2-diethoxybenzene (CID 2434831) is 4-(chloromethyl)-1,2-diethoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-1,2-diethoxybenzene?
The canonical SMILES for 4-(chloromethyl)-1,2-diethoxybenzene is CCOc1ccc(CCl)cc1OCC.
What is the InChIKey of 4-(chloromethyl)-1,2-diethoxybenzene?
The InChIKey is TXBSWQWDLFJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1,2-diethoxybenzene?
4-(chloromethyl)-1,2-diethoxybenzene has a molecular weight of 214.69 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1,2-diethoxybenzene is sourced from PubChem (CID 2434831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).