2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene

C16H17ClO — CID 82090358

IUPAC2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Oc2ccc(CCl)cc2)c(C)c1
InChIInChI=1S/C16H17ClO/c1-11-8-12(2)16(13(3)9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10H2,1-3H3
InChIKeyOOWGDNYBXJOKLX-UHFFFAOYSA-N
MW260.76 g/mol
LogP5.14
Rot. Bonds3

About 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene

2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene (PubChem CID 82090358) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
PubChem CID82090358
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(Oc2ccc(CCl)cc2)c(C)c1
InChIInChI=1S/C16H17ClO/c1-11-8-12(2)16(13(3)9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10H2,1-3H3
InChIKeyOOWGDNYBXJOKLX-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.76
LogP ≤ 55.14
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-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
3-[4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659195
2-(4-bromophenoxy)-4-(chloromethyl)-1-methylbenzene
CID 105405984
5-chloro-2-[2-chloro-4-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 81152086
1-(4-bromophenoxy)-4-(chloromethyl)-2-methylbenzene
CID 63565881
1,2-bis[4-(chloromethyl)phenoxy]benzene
CID 54463677
1,2-dichloro-4-[4-(chloromethyl)phenoxy]benzene
CID 63568031
1-(chloromethyl)-4-ethenylbenzene;5-(2,6-dimethylphenoxy)-2-[4-[(4-ethenylphenyl)methoxy]-3,5-dimethylphenoxy]-1,3-dimethylbenzene
CID 159020818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene (CID 82090358) is 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene is Cc1cc(C)c(Oc2ccc(CCl)cc2)c(C)c1.
What is the InChIKey of 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene?
The InChIKey is OOWGDNYBXJOKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11-8-12(2)16(13(3)9-11)18-15-6-4-14(10-17)5-7-15/h4-9H,10H2,1-3H3.
What are the key properties of 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene?
2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene has a molecular weight of 260.76 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenoxy]-1,3,5-trimethylbenzene is sourced from PubChem (CID 82090358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).