(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol

C20H24O — CID 164890339

IUPAC(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@@H](C)[C@H](c2cccc3ccccc23)C1
InChIInChI=1S/C20H24O/c1-13(2)16-11-19(14(3)20(21)12-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,19-21H,1,11-12H2,2-3H3/t14-,16+,19+,20+/m0/s1
InChIKeyXLXXPTLDYARMPV-YDGZCJQPSA-N
MW280.41 g/mol
LogP4.91
Rot. Bonds2

About (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol

(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 164890339) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID164890339
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@@H](C)[C@H](c2cccc3ccccc23)C1
InChIInChI=1S/C20H24O/c1-13(2)16-11-19(14(3)20(21)12-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,19-21H,1,11-12H2,2-3H3/t14-,16+,19+,20+/m0/s1
InChIKeyXLXXPTLDYARMPV-YDGZCJQPSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol (CID 164890339) is (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@H]1C[C@@H](O)[C@@H](C)[C@H](c2cccc3ccccc23)C1.
What is the InChIKey of (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is XLXXPTLDYARMPV-YDGZCJQPSA-N. The full InChI is InChI=1S/C20H24O/c1-13(2)16-11-19(14(3)20(21)12-16)18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,19-21H,1,11-12H2,2-3H3/t14-,16+,19+,20+/m0/s1.
What are the key properties of (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-2-methyl-3-naphthalen-1-yl-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 164890339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).