2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene

C17H26O — CID 134836464

IUPAC2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene
SMILESCO[C@@H]1C[C@H](C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C17H26O/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3/t13-,15?,16-/m1/s1
InChIKeyUINROOVKBHXLMH-YAELJHOLSA-N
MW246.39 g/mol
LogP4.42
Rot. Bonds3

About 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene

2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene (PubChem CID 134836464) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene.

Molecular Properties

Compound Name2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene
PubChem CID134836464
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene
SMILESCO[C@@H]1C[C@H](C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C17H26O/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3/t13-,15?,16-/m1/s1
InChIKeyUINROOVKBHXLMH-YAELJHOLSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene?
The IUPAC name of 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene (CID 134836464) is 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene.
What is the SMILES notation for 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene?
The canonical SMILES for 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene is CO[C@@H]1C[C@H](C)CCC1C(C)(C)c1ccccc1.
What is the InChIKey of 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene?
The InChIKey is UINROOVKBHXLMH-YAELJHOLSA-N. The full InChI is InChI=1S/C17H26O/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3/t13-,15?,16-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene?
2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene has a molecular weight of 246.39 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-methoxy-4-methylcyclohexyl]propan-2-ylbenzene is sourced from PubChem (CID 134836464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).