1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene

C17H19ClO — CID 67328041

IUPAC1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
SMILESCc1ccc(OC(C)Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H19ClO/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14H,11-12H2,1-2H3
InChIKeyHVFHXAZDLQZFIK-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.74
Rot. Bonds5

About 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene

1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene (PubChem CID 67328041) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
PubChem CID67328041
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
SMILESCc1ccc(OC(C)Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H19ClO/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14H,11-12H2,1-2H3
InChIKeyHVFHXAZDLQZFIK-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.74
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

[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
CID 124567142
1-[4-(chloromethyl)phenoxy]ethyl hypochlorite
CID 141305174
4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
CID 147998272
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
ethyl 2-chloro-3-[4-(1-phenylpropan-2-yloxy)phenyl]propanoate
CID 12615976
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
N-[4-(chloromethyl)phenyl]-N,4-dimethylaniline
CID 55220939

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene?
The IUPAC name of 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene (CID 67328041) is 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene is Cc1ccc(OC(C)Cc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene?
The InChIKey is HVFHXAZDLQZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene?
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene has a molecular weight of 274.79 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene is sourced from PubChem (CID 67328041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).