(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol

C18H28O — CID 124768360

IUPAC(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@](O)(CCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18-/m0/s1
InChIKeyOLFOYXTWBOZBQG-JQHSSLGASA-N
MW260.42 g/mol
LogP4.44
Rot. Bonds4

About (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol

(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol (PubChem CID 124768360) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
PubChem CID124768360
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@H](C)[C@](O)(CCc2ccccc2)C1
InChIInChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18-/m0/s1
InChIKeyOLFOYXTWBOZBQG-JQHSSLGASA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol (CID 124768360) is (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@H](C)[C@](O)(CCc2ccccc2)C1.
What is the InChIKey of (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
The InChIKey is OLFOYXTWBOZBQG-JQHSSLGASA-N. The full InChI is InChI=1S/C18H28O/c1-14(2)17-10-9-15(3)18(19,13-17)12-11-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17+,18-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol?
(1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methyl-1-(2-phenylethyl)-5-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 124768360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).