(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one

C15H24O3 — CID 101434798

IUPAC(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one
SMILESCC(C)[C@@H]1CC[C@](C)(O)C2=C1C(=O)[C@](C)(O)CC2
InChIInChI=1S/C15H24O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)13(16)12(10)11/h9-10,17-18H,5-8H2,1-4H3/t10-,14-,15+/m0/s1
InChIKeyGJHDPRAXMDLGHR-NZVBXONLSA-N
MW252.35 g/mol
LogP2.21
Rot. Bonds1

About (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one

(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one (PubChem CID 101434798) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one.

Molecular Properties

Compound Name(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one
PubChem CID101434798
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one
SMILESCC(C)[C@@H]1CC[C@](C)(O)C2=C1C(=O)[C@](C)(O)CC2
InChIInChI=1S/C15H24O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)13(16)12(10)11/h9-10,17-18H,5-8H2,1-4H3/t10-,14-,15+/m0/s1
InChIKeyGJHDPRAXMDLGHR-NZVBXONLSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one 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

(2R,4S,5S,8S)-2,4,5-trihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one
CID 122374717
Lippifoli-1(6)-en-4 beta-ol-5-one
CID 91750064
(6S)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 162909242
menecubebane B
CID 163159530
(3S,4R,4aR)-3-hydroxy-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-4,5,6,7-tetrahydronaphthalen-2-one
CID 101616671
(1S,4aR,8aS)-1-hydroxy-1-methyl-6-(4-methylpent-3-enyl)-4-propan-2-yl-4a,5,8,8a-tetrahydronaphthalen-2-one
CID 56589136
(6R)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 15139940
5-hydroxy-3,3,5,7b-tetramethyl-1a,2,6,7-tetrahydro-1H-cyclopropa[a]naphthalen-4-one
CID 162984224
(4R,6S)-6-hydroxy-6-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-2H-naphthalene-1,5-dione
CID 163073862
1,8-Dihydroxy-p-menth-3-en-2-one
CID 60151497
2,6-Dihydroxy-3,6-di(propan-2-yl)cyclohex-2-en-1-one
CID 45093258
(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one
CID 122403923

Frequently Asked Questions

What is the IUPAC name of (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one?
The IUPAC name of (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one (CID 101434798) is (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one.
What is the SMILES notation for (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one?
The canonical SMILES for (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one is CC(C)[C@@H]1CC[C@](C)(O)C2=C1C(=O)[C@](C)(O)CC2.
What is the InChIKey of (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one?
The InChIKey is GJHDPRAXMDLGHR-NZVBXONLSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)13(16)12(10)11/h9-10,17-18H,5-8H2,1-4H3/t10-,14-,15+/m0/s1.
What are the key properties of (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one?
(2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one has a molecular weight of 252.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,8S)-2,5-dihydroxy-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalen-1-one is sourced from PubChem (CID 101434798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).