2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane

C15H19ClO2 — CID 114245608

IUPAC2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
SMILESCOc1ccc(OC2CC3CCC2C3)c(CCl)c1
InChIInChI=1S/C15H19ClO2/c1-17-13-4-5-14(12(8-13)9-16)18-15-7-10-2-3-11(15)6-10/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3
InChIKeyCWXNTNWWWGYDEE-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane

2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane (PubChem CID 114245608) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
PubChem CID114245608
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane
SMILESCOc1ccc(OC2CC3CCC2C3)c(CCl)c1
InChIInChI=1S/C15H19ClO2/c1-17-13-4-5-14(12(8-13)9-16)18-15-7-10-2-3-11(15)6-10/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3
InChIKeyCWXNTNWWWGYDEE-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.00
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-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
CID 114245408
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
CID 64735146
4-(2-bicyclo[2.2.1]heptanyloxy)-2-(chloromethyl)-5-methoxypyridine
CID 21221238
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzoyl chloride
CID 10016547
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
[2-(2-bicyclo[2.2.1]heptanyloxy)-3-methoxyphenyl]methanamine
CID 114245403
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 79554576
[4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorophenyl]methanamine
CID 117052546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane (CID 114245608) is 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane is COc1ccc(OC2CC3CCC2C3)c(CCl)c1.
What is the InChIKey of 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane?
The InChIKey is CWXNTNWWWGYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-17-13-4-5-14(12(8-13)9-16)18-15-7-10-2-3-11(15)6-10/h4-5,8,10-11,15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane?
2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane has a molecular weight of 266.77 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-4-methoxyphenoxy]bicyclo[2.2.1]heptane is sourced from PubChem (CID 114245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).