4-(2-chloro-4-methylphenoxy)oxane

C12H15ClO2 — CID 58103858

IUPAC4-(2-chloro-4-methylphenoxy)oxane
SMILESCc1ccc(OC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyUGGCDRIWNLACNS-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.21
Rot. Bonds2

About 4-(2-chloro-4-methylphenoxy)oxane

4-(2-chloro-4-methylphenoxy)oxane (PubChem CID 58103858) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)oxane.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)oxane
PubChem CID58103858
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name4-(2-chloro-4-methylphenoxy)oxane
SMILESCc1ccc(OC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7H2,1H3
InChIKeyUGGCDRIWNLACNS-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
CID 66343960
4-(2-chloro-4-nitrophenoxy)oxane
CID 177179257
N-[1-[5-methyl-2-(oxan-4-yloxy)phenyl]ethylidene]hydroxylamine
CID 77013728
2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
CID 87150314
1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
CID 118058024
N-[3-chloro-4-(oxan-4-yloxy)phenyl]prop-2-enamide
CID 150644180
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)oxane?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)oxane (CID 58103858) is 4-(2-chloro-4-methylphenoxy)oxane.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)oxane?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)oxane is Cc1ccc(OC2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)oxane?
The InChIKey is UGGCDRIWNLACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 4-(2-chloro-4-methylphenoxy)oxane?
4-(2-chloro-4-methylphenoxy)oxane has a molecular weight of 226.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)oxane is sourced from PubChem (CID 58103858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).