[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene

C14H15Cl3O — CID 172686764

IUPAC[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene
SMILESClCC1(Cl)C=CCC(Cl)(OCc2ccccc2)C1
InChIInChI=1S/C14H15Cl3O/c15-11-13(16)7-4-8-14(17,10-13)18-9-12-5-2-1-3-6-12/h1-7H,8-11H2
InChIKeyBDGMZJUKOUWIDG-UHFFFAOYSA-N
MW305.63 g/mol
LogP4.70
Rot. Bonds4

About [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene

[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene (PubChem CID 172686764) has the molecular formula C14H15Cl3O and a molecular weight of 305.63 g/mol. Its IUPAC name is [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene.

Molecular Properties

Compound Name[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene
PubChem CID172686764
Molecular FormulaC14H15Cl3O
Molecular Weight305.63 g/mol
Exact Mass304.02
IUPAC Name[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene
SMILESClCC1(Cl)C=CCC(Cl)(OCc2ccccc2)C1
InChIInChI=1S/C14H15Cl3O/c15-11-13(16)7-4-8-14(17,10-13)18-9-12-5-2-1-3-6-12/h1-7H,8-11H2
InChIKeyBDGMZJUKOUWIDG-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.63
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-1-phenylmethoxycyclohexa-2,4-dien-1-amine
CID 68786402
2-bromo-5-iodo-5-phenylmethoxycyclohexa-1,3-diene
CID 151406859
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
1-phenylmethoxycyclohex-2-ene-1-carboxylic acid
CID 150519089
5-(bromomethyl)-5-(phenylmethoxymethyl)cycloheptene
CID 165445741
chloromethylbenzene;ruthenium
CID 161305198
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
benzyl 2-chloroacetate
CID 8786
chloro-oxo-phenylmethoxyphosphanium
CID 23320599
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
CID 115050877

Frequently Asked Questions

What is the IUPAC name of [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene?
The IUPAC name of [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene (CID 172686764) is [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene.
What is the SMILES notation for [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene?
The canonical SMILES for [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene is ClCC1(Cl)C=CCC(Cl)(OCc2ccccc2)C1.
What is the InChIKey of [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene?
The InChIKey is BDGMZJUKOUWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3O/c15-11-13(16)7-4-8-14(17,10-13)18-9-12-5-2-1-3-6-12/h1-7H,8-11H2.
What are the key properties of [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene?
[1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene has a molecular weight of 305.63 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dichloro-5-(chloromethyl)cyclohex-3-en-1-yl]oxymethylbenzene is sourced from PubChem (CID 172686764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).