[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane

C15H21ClO2 — CID 82927927

IUPAC[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
SMILESCOc1cccc(CCl)c1OC1CCCCCC1
InChIInChI=1S/C15H21ClO2/c1-17-14-10-6-7-12(11-16)15(14)18-13-8-4-2-3-5-9-13/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyYABLYZMATFEDJQ-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.54
Rot. Bonds4

About [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane

[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane (PubChem CID 82927927) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
PubChem CID82927927
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
SMILESCOc1cccc(CCl)c1OC1CCCCCC1
InChIInChI=1S/C15H21ClO2/c1-17-14-10-6-7-12(11-16)15(14)18-13-8-4-2-3-5-9-13/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeyYABLYZMATFEDJQ-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.54
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

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CID 90711986
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(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-cyclobutyloxy-1-(isocyanatomethyl)-3-methoxybenzene
CID 117338039
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
CID 119324261
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane?
The IUPAC name of [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane (CID 82927927) is [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane.
What is the SMILES notation for [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane?
The canonical SMILES for [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane is COc1cccc(CCl)c1OC1CCCCCC1.
What is the InChIKey of [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane?
The InChIKey is YABLYZMATFEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-17-14-10-6-7-12(11-16)15(14)18-13-8-4-2-3-5-9-13/h6-7,10,13H,2-5,8-9,11H2,1H3.
What are the key properties of [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane?
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane has a molecular weight of 268.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methoxyphenoxy]cycloheptane is sourced from PubChem (CID 82927927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).