3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol

C15H20O2 — CID 54105253

IUPAC3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
SMILESCC1=c2c(O)c(O)c(C)cc2=C(C(C)C)CC1
InChIInChI=1S/C15H20O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h7-8,16-17H,5-6H2,1-4H3
InChIKeyNDHGBQSBZGNKAY-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.18
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol

3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol (PubChem CID 54105253) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
PubChem CID54105253
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
SMILESCC1=c2c(O)c(O)c(C)cc2=C(C(C)C)CC1
InChIInChI=1S/C15H20O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h7-8,16-17H,5-6H2,1-4H3
InChIKeyNDHGBQSBZGNKAY-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
CID 24870714
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
6-chloro-8-methyl-4,5-dihydro-3H-1-benzazepin-9-ol
CID 142897885
6-methoxy-5-propan-2-yl-3,4-dihydropyridine
CID 171832855
4-[4-(4-hydroxyphenyl)cyclohexyl]-2-methyl-6-propan-2-ylphenol
CID 68801161
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
2-hydroxy-3-methyl-5-propan-2-ylbenzaldehyde
CID 71330905
2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol
CID 139245406
5-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 134237221
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
CID 18725086
3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2,4,6-trimethylphenol
CID 88696322

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol (CID 54105253) is 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol is CC1=c2c(O)c(O)c(C)cc2=C(C(C)C)CC1.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol?
The InChIKey is NDHGBQSBZGNKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h7-8,16-17H,5-6H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol?
3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol has a molecular weight of 232.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol is sourced from PubChem (CID 54105253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).