1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene

C17H19ClO2 — CID 63566952

IUPAC1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene
SMILESCCCOc1ccccc1Oc1ccc(CCl)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-3-10-19-16-6-4-5-7-17(16)20-15-9-8-14(12-18)13(2)11-15/h4-9,11H,3,10,12H2,1-2H3
InChIKeySIKBCXTVCYKOFF-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.31
Rot. Bonds6

About 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene

1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene (PubChem CID 63566952) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene
PubChem CID63566952
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene
SMILESCCCOc1ccccc1Oc1ccc(CCl)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-3-10-19-16-6-4-5-7-17(16)20-15-9-8-14(12-18)13(2)11-15/h4-9,11H,3,10,12H2,1-2H3
InChIKeySIKBCXTVCYKOFF-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.31
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

1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
4-tert-butyl-1-[4-(chloromethyl)-3-methylphenoxy]-2-methylbenzene
CID 63567670
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene (CID 63566952) is 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene is CCCOc1ccccc1Oc1ccc(CCl)c(C)c1.
What is the InChIKey of 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene?
The InChIKey is SIKBCXTVCYKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-10-19-16-6-4-5-7-17(16)20-15-9-8-14(12-18)13(2)11-15/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene?
1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene has a molecular weight of 290.79 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-methyl-4-(2-propoxyphenoxy)benzene is sourced from PubChem (CID 63566952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).