2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene

C10H13ClO2 — CID 65364631

IUPAC2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
SMILESCOCOc1ccc(C)cc1CCl
InChIInChI=1S/C10H13ClO2/c1-8-3-4-10(13-7-12-2)9(5-8)6-11/h3-5H,6-7H2,1-2H3
InChIKeyNZNNXPLOWCRDMP-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.72
Rot. Bonds4

About 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene

2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene (PubChem CID 65364631) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
PubChem CID65364631
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene
SMILESCOCOc1ccc(C)cc1CCl
InChIInChI=1S/C10H13ClO2/c1-8-3-4-10(13-7-12-2)9(5-8)6-11/h3-5H,6-7H2,1-2H3
InChIKeyNZNNXPLOWCRDMP-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
2-(2-chloroethyl)-4-fluoro-1-(methoxymethoxy)benzene
CID 175391169
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
4-[2-(chloromethyl)-4-methylphenoxy]-2,2-dimethylbutanenitrile
CID 65253357
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-methylnaphthalen-1-yl]-6-methylnaphthalene
CID 142064515
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene?
The IUPAC name of 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene (CID 65364631) is 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene?
The canonical SMILES for 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene is COCOc1ccc(C)cc1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene?
The InChIKey is NZNNXPLOWCRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-8-3-4-10(13-7-12-2)9(5-8)6-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene?
2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene has a molecular weight of 200.66 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(methoxymethoxy)-4-methylbenzene is sourced from PubChem (CID 65364631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).