(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol

C20H30O2 — CID 11162460

IUPAC(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
SMILESC[C@@]12CCC[C@@H](O)[C@H]1[C@](C)(COCc1ccccc1)CCC2
InChIInChI=1S/C20H30O2/c1-19-11-6-10-17(21)18(19)20(2,13-7-12-19)15-22-14-16-8-4-3-5-9-16/h3-5,8-9,17-18,21H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1
InChIKeyFXBPYSHZSHUBNW-ZRNYENFQSA-N
MW302.46 g/mol
LogP4.56
Rot. Bonds4

About (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol

(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol (PubChem CID 11162460) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
PubChem CID11162460
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
SMILESC[C@@]12CCC[C@@H](O)[C@H]1[C@](C)(COCc1ccccc1)CCC2
InChIInChI=1S/C20H30O2/c1-19-11-6-10-17(21)18(19)20(2,13-7-12-19)15-22-14-16-8-4-3-5-9-16/h3-5,8-9,17-18,21H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1
InChIKeyFXBPYSHZSHUBNW-ZRNYENFQSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol with MolForge

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Related Compounds

[(1R,4aR,8R,8aR)-4a-methyl-1-(phenylmethoxymethyl)-8-trimethylsilyloxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanamine
CID 11292204
(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
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cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
[1-(phenylmethoxymethyl)cyclopentyl]methanol
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N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-[(1R,2R)-2-hydroxy-2-(phenylmethoxymethyl)cyclopentyl]acetamide
CID 10491797
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol?
The IUPAC name of (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol (CID 11162460) is (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol?
The canonical SMILES for (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol is C[C@@]12CCC[C@@H](O)[C@H]1[C@](C)(COCc1ccccc1)CCC2.
What is the InChIKey of (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol?
The InChIKey is FXBPYSHZSHUBNW-ZRNYENFQSA-N. The full InChI is InChI=1S/C20H30O2/c1-19-11-6-10-17(21)18(19)20(2,13-7-12-19)15-22-14-16-8-4-3-5-9-16/h3-5,8-9,17-18,21H,6-7,10-15H2,1-2H3/t17-,18-,19+,20+/m1/s1.
What are the key properties of (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol?
(1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol has a molecular weight of 302.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8R,8aR)-4a,8-dimethyl-8-(phenylmethoxymethyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 11162460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).