(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol

C17H24O2 — CID 143728027

IUPAC(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol
SMILESC[C@H]1C[C@@H](COc2ccc3c(c2)CCCC3)[C@H](O)C1
InChIInChI=1S/C17H24O2/c1-12-8-15(17(18)9-12)11-19-16-7-6-13-4-2-3-5-14(13)10-16/h6-7,10,12,15,17-18H,2-5,8-9,11H2,1H3/t12-,15-,17+/m0/s1
InChIKeyTXNXJWPSVGHKMU-YLQAJVPDSA-N
MW260.38 g/mol
LogP3.35
Rot. Bonds3

About (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol

(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol (PubChem CID 143728027) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol
PubChem CID143728027
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol
SMILESC[C@H]1C[C@@H](COc2ccc3c(c2)CCCC3)[C@H](O)C1
InChIInChI=1S/C17H24O2/c1-12-8-15(17(18)9-12)11-19-16-7-6-13-4-2-3-5-14(13)10-16/h6-7,10,12,15,17-18H,2-5,8-9,11H2,1H3/t12-,15-,17+/m0/s1
InChIKeyTXNXJWPSVGHKMU-YLQAJVPDSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

tert-butyl 3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)azetidine-1-carboxylate
CID 134226495
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
4-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-ol
CID 63465955
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7375715
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
CID 61398789
2-ethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 104675407
(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
CID 139721977
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylmorpholine
CID 82295917
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 66346470
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol (CID 143728027) is (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol is C[C@H]1C[C@@H](COc2ccc3c(c2)CCCC3)[C@H](O)C1.
What is the InChIKey of (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol?
The InChIKey is TXNXJWPSVGHKMU-YLQAJVPDSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-8-15(17(18)9-12)11-19-16-7-6-13-4-2-3-5-14(13)10-16/h6-7,10,12,15,17-18H,2-5,8-9,11H2,1H3/t12-,15-,17+/m0/s1.
What are the key properties of (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol?
(1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 143728027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).