2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane

C19H28O — CID 146254030

IUPAC2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
SMILESCC1CCC(c2ccc(C3CCC(C)OC3)cc2)CC1
InChIInChI=1S/C19H28O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h9-12,14-16,19H,3-8,13H2,1-2H3
InChIKeyNQCGPMSJGGAPRJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.26
Rot. Bonds2

About 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane

2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane (PubChem CID 146254030) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
PubChem CID146254030
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane
SMILESCC1CCC(c2ccc(C3CCC(C)OC3)cc2)CC1
InChIInChI=1S/C19H28O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h9-12,14-16,19H,3-8,13H2,1-2H3
InChIKeyNQCGPMSJGGAPRJ-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
4-[4-[2-(6-methyloxan-3-yl)ethyl]cyclohexyl]phenol
CID 143210026
2-methyl-5-[5,5,6,6-tetrafluoro-4-(4-methylcyclohexyl)cyclohexa-1,3-dien-1-yl]oxane
CID 144809556
2-[2-(4-methylcyclohexyl)ethyl]-5-(4-methylphenyl)oxane
CID 143210170
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
5-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]phenyl]-2-methyloxane
CID 70955843
(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane?
The IUPAC name of 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane (CID 146254030) is 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane.
What is the SMILES notation for 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane?
The canonical SMILES for 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane is CC1CCC(c2ccc(C3CCC(C)OC3)cc2)CC1.
What is the InChIKey of 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane?
The InChIKey is NQCGPMSJGGAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20-13-19/h9-12,14-16,19H,3-8,13H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane?
2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane has a molecular weight of 272.43 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylcyclohexyl)phenyl]oxane is sourced from PubChem (CID 146254030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).