4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene

C12H15ClO2 — CID 22456846

IUPAC4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1OCC1CC1
InChIInChI=1S/C12H15ClO2/c1-14-11-5-4-10(7-13)6-12(11)15-8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeySIWYABBLBPVMSL-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.22
Rot. Bonds5

About 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene

4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene (PubChem CID 22456846) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
PubChem CID22456846
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
SMILESCOc1ccc(CCl)cc1OCC1CC1
InChIInChI=1S/C12H15ClO2/c1-14-11-5-4-10(7-13)6-12(11)15-8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeySIWYABBLBPVMSL-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.22
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

N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
CID 64749126
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
5-(chloromethyl)-2-(cyclopropylmethoxymethoxy)-1,3-dimethoxybenzene
CID 106929889
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene?
The IUPAC name of 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene (CID 22456846) is 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene.
What is the SMILES notation for 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene?
The canonical SMILES for 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene is COc1ccc(CCl)cc1OCC1CC1.
What is the InChIKey of 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene?
The InChIKey is SIWYABBLBPVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-14-11-5-4-10(7-13)6-12(11)15-8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene?
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene has a molecular weight of 226.70 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene is sourced from PubChem (CID 22456846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).