1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene

C16H24O — CID 64764393

IUPAC1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC1CCCC(Oc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H24O/c1-12(2)14-7-9-15(10-8-14)17-16-6-4-5-13(3)11-16/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyULVCEJOMQSJCIA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene

1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene (PubChem CID 64764393) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
PubChem CID64764393
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
SMILESCC1CCCC(Oc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H24O/c1-12(2)14-7-9-15(10-8-14)17-16-6-4-5-13(3)11-16/h7-10,12-13,16H,4-6,11H2,1-3H3
InChIKeyULVCEJOMQSJCIA-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene (CID 64764393) is 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene is CC1CCCC(Oc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene?
The InChIKey is ULVCEJOMQSJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)14-7-9-15(10-8-14)17-16-6-4-5-13(3)11-16/h7-10,12-13,16H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene?
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene is sourced from PubChem (CID 64764393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).