1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene

C17H19ClO — CID 22415765

IUPAC1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
SMILESCCCc1ccccc1OCc1ccccc1CCl
InChIInChI=1S/C17H19ClO/c1-2-7-14-8-5-6-11-17(14)19-13-16-10-4-3-9-15(16)12-18/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeySOBTTXVDXFPCHR-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.96
Rot. Bonds6

About 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene

1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene (PubChem CID 22415765) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
PubChem CID22415765
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene
SMILESCCCc1ccccc1OCc1ccccc1CCl
InChIInChI=1S/C17H19ClO/c1-2-7-14-8-5-6-11-17(14)19-13-16-10-4-3-9-15(16)12-18/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeySOBTTXVDXFPCHR-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.96
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-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069193
1-(butoxymethyl)-2-(chloromethyl)benzene
CID 68968574
ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
CID 142580801
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
3-[(2-chlorophenyl)methoxy]-4-propylaniline
CID 154112954
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-[(2-ethylphenoxy)methyl]benzoyl chloride
CID 19755754
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene?
The IUPAC name of 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene (CID 22415765) is 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene.
What is the SMILES notation for 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene?
The canonical SMILES for 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene is CCCc1ccccc1OCc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene?
The InChIKey is SOBTTXVDXFPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-2-7-14-8-5-6-11-17(14)19-13-16-10-4-3-9-15(16)12-18/h3-6,8-11H,2,7,12-13H2,1H3.
What are the key properties of 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene?
1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene has a molecular weight of 274.79 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(2-propylphenoxy)methyl]benzene is sourced from PubChem (CID 22415765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).