2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene

C18H21ClO — CID 67069193

IUPAC2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(OCc2ccccc2CCl)c1
InChIInChI=1S/C18H21ClO/c1-3-14-9-10-15(4-2)18(11-14)20-13-17-8-6-5-7-16(17)12-19/h5-11H,3-4,12-13H2,1-2H3
InChIKeyJKYXCEDSNLPGFB-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.13
Rot. Bonds6

About 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene

2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene (PubChem CID 67069193) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene.

Molecular Properties

Compound Name2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
PubChem CID67069193
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(OCc2ccccc2CCl)c1
InChIInChI=1S/C18H21ClO/c1-3-14-9-10-15(4-2)18(11-14)20-13-17-8-6-5-7-16(17)12-19/h5-11H,3-4,12-13H2,1-2H3
InChIKeyJKYXCEDSNLPGFB-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069151
1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
CID 67069225
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
CID 22415765
1-(chloromethyl)-2-ethylbenzene
CID 524243
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)-2-ethoxybenzene
CID 28555321
2-[(2-ethylphenoxy)methyl]benzoyl chloride
CID 19755754
[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
4-[(2-chlorophenoxy)methyl]-7-ethylchromen-2-one
CID 7815926
2-ethoxy-4-ethyl-1-propylbenzene
CID 14665571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The IUPAC name of 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene (CID 67069193) is 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene.
What is the SMILES notation for 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The canonical SMILES for 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene is CCc1ccc(CC)c(OCc2ccccc2CCl)c1.
What is the InChIKey of 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The InChIKey is JKYXCEDSNLPGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-3-14-9-10-15(4-2)18(11-14)20-13-17-8-6-5-7-16(17)12-19/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene has a molecular weight of 288.82 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene is sourced from PubChem (CID 67069193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).