2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene

C16H17ClO2 — CID 62161146

IUPAC2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1COc1ccccc1CCl
InChIInChI=1S/C16H17ClO2/c1-12-7-8-15(18-2)14(9-12)11-19-16-6-4-3-5-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyTURWMKJWUFRACY-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.32
Rot. Bonds5

About 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene

2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene (PubChem CID 62161146) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
PubChem CID62161146
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1COc1ccccc1CCl
InChIInChI=1S/C16H17ClO2/c1-12-7-8-15(18-2)14(9-12)11-19-16-6-4-3-5-13(16)10-17/h3-9H,10-11H2,1-2H3
InChIKeyTURWMKJWUFRACY-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.32
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

2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038
2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
CID 65364631
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene (CID 62161146) is 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1COc1ccccc1CCl.
What is the InChIKey of 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene?
The InChIKey is TURWMKJWUFRACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-12-7-8-15(18-2)14(9-12)11-19-16-6-4-3-5-13(16)10-17/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene?
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene has a molecular weight of 276.76 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 62161146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).