(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol

C15H22O2 — CID 10681213

IUPAC(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
SMILESCc1ccc(C(C)C)c2c1CC[C@](C)(O)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h5-6,9,14,16-17H,7-8H2,1-4H3/t14-,15+/m1/s1
InChIKeyCODNRFYJXVEFBP-CABCVRRESA-N
MW234.34 g/mol
LogP2.85
Rot. Bonds1

About (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol

(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol (PubChem CID 10681213) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
PubChem CID10681213
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
SMILESCc1ccc(C(C)C)c2c1CC[C@](C)(O)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h5-6,9,14,16-17H,7-8H2,1-4H3/t14-,15+/m1/s1
InChIKeyCODNRFYJXVEFBP-CABCVRRESA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol
CID 71663051
ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144672016
(1R,2R,3R)-3,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 10059931
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117282016
N-(5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 58361125
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
CID 139772831
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 61037728
4,7-di(propan-2-yl)spiro[1,3-dihydroindene-2,1'-cyclopentane]
CID 140642350
(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one
CID 102264305
6-methyl-3-propan-2-yl-2-pyrrolidin-2-ylphenol
CID 84684983
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol?
The IUPAC name of (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol (CID 10681213) is (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol.
What is the SMILES notation for (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol?
The canonical SMILES for (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol is Cc1ccc(C(C)C)c2c1CC[C@](C)(O)[C@@H]2O.
What is the InChIKey of (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol?
The InChIKey is CODNRFYJXVEFBP-CABCVRRESA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)12-7-8-15(4,17)14(16)13(11)12/h5-6,9,14,16-17H,7-8H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol?
(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol has a molecular weight of 234.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol is sourced from PubChem (CID 10681213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).