1,2,3,5,6,7-hexahydronaphthalene-1,5-diol

C10H14O2 — CID 130126715

IUPAC1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
SMILESOC1CCC=C2C1=CCCC2O
InChIInChI=1S/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h3-4,9-12H,1-2,5-6H2
InChIKeyCEDQJWULJYJFFK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds

About 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol

1,2,3,5,6,7-hexahydronaphthalene-1,5-diol (PubChem CID 130126715) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
PubChem CID130126715
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
SMILESOC1CCC=C2C1=CCCC2O
InChIInChI=1S/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h3-4,9-12H,1-2,5-6H2
InChIKeyCEDQJWULJYJFFK-UHFFFAOYSA-N
XLogP1.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,5,6,7-hexahydronaphthalene-1,5-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

(1R)-2-[3,5-bis[(5R)-5-hydroxycyclopenten-1-yl]phenyl]cyclopent-2-en-1-ol
CID 125036537
(1S,2Z,6S,7Z)-2,7-dibromocyclodeca-2,7-diene-1,6-diol
CID 139089608
(1S)-2-(trimethylsilylmethyl)cyclopent-2-en-1-ol
CID 102463695
(1S,2R)-3-phenylcyclohex-3-ene-1,2-diol
CID 10535684
cyclohexyl-(5-hydroxycyclopenten-1-yl)methanone
CID 13113761
(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
CID 58637363
(1S)-cyclohex-3-ene-1,3-diol
CID 67743763
(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154
3-chlorocyclohex-3-ene-1,2-diol
CID 67478203
(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
CID 91699542
(1S,6aS)-1,2,3,5,6,6a-hexahydropentalen-1-ol
CID 92842902
(1R)-3-methylcyclohex-3-en-1-ol
CID 144556307

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol?
The IUPAC name of 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol (CID 130126715) is 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol.
What is the SMILES notation for 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol?
The canonical SMILES for 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol is OC1CCC=C2C1=CCCC2O.
What is the InChIKey of 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol?
The InChIKey is CEDQJWULJYJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h3-4,9-12H,1-2,5-6H2.
What are the key properties of 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol?
1,2,3,5,6,7-hexahydronaphthalene-1,5-diol has a molecular weight of 166.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydronaphthalene-1,5-diol is sourced from PubChem (CID 130126715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).