(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol

C15H22O2 — CID 10059931

IUPAC(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESCc1ccc(C(C)C)c2c1[C@@H](O)[C@H](O)[C@H](C)C2
InChIInChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-6,8,10,14-17H,7H2,1-4H3/t10-,14-,15-/m1/s1
InChIKeyOEBHZESREHLVQJ-VCTAVGKDSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds1

About (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol

(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol (PubChem CID 10059931) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol
PubChem CID10059931
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol
SMILESCc1ccc(C(C)C)c2c1[C@@H](O)[C@H](O)[C@H](C)C2
InChIInChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-6,8,10,14-17H,7H2,1-4H3/t10-,14-,15-/m1/s1
InChIKeyOEBHZESREHLVQJ-VCTAVGKDSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol with MolForge

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Related Compounds

ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
2,4,7-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79729666
(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 10681213
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
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2-ethyl-3-methyl-6-propan-2-ylphenol
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2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 156687185
4-bromo-1,2,7-trimethyl-2,3-dihydro-1H-indene
CID 90325905
2,5-dimethyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537284
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451
2-azido-3-methyl-6-propan-2-ylphenol
CID 151735822
(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol
CID 136738238

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The IUPAC name of (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol (CID 10059931) is (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol is Cc1ccc(C(C)C)c2c1[C@@H](O)[C@H](O)[C@H](C)C2.
What is the InChIKey of (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol?
The InChIKey is OEBHZESREHLVQJ-VCTAVGKDSA-N. The full InChI is InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h5-6,8,10,14-17H,7H2,1-4H3/t10-,14-,15-/m1/s1.
What are the key properties of (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol?
(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol has a molecular weight of 234.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 10059931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).