2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane

C14H18Cl2O3 — CID 65162793

IUPAC2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
SMILESCOc1cc(CCl)cc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C14H18Cl2O3/c1-17-13-8-10(9-15)7-12(16)14(13)19-6-4-11-3-2-5-18-11/h7-8,11H,2-6,9H2,1H3
InChIKeyBAQQSPSAUHCPGG-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.04
Rot. Bonds6

About 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane

2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane (PubChem CID 65162793) has the molecular formula C14H18Cl2O3 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
PubChem CID65162793
Molecular FormulaC14H18Cl2O3
Molecular Weight305.20 g/mol
Exact Mass304.06
IUPAC Name2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
SMILESCOc1cc(CCl)cc(Cl)c1OCCC1CCCO1
InChIInChI=1S/C14H18Cl2O3/c1-17-13-8-10(9-15)7-12(16)14(13)19-6-4-11-3-2-5-18-11/h7-8,11H,2-6,9H2,1H3
InChIKeyBAQQSPSAUHCPGG-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
3-bromo-5-methoxy-4-[2-[(2R)-oxolan-2-yl]ethoxy]benzonitrile
CID 100669070
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4716124
N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 17290301
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
CID 113438848
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 154879334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane (CID 65162793) is 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane is COc1cc(CCl)cc(Cl)c1OCCC1CCCO1.
What is the InChIKey of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane?
The InChIKey is BAQQSPSAUHCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O3/c1-17-13-8-10(9-15)7-12(16)14(13)19-6-4-11-3-2-5-18-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane?
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane has a molecular weight of 305.20 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane is sourced from PubChem (CID 65162793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).