1,2,3,4-tetrahydronaphthalene-1,4-diol

C10H12O2 — CID 14440163

IUPAC1,2,3,4-tetrahydronaphthalene-1,4-diol
SMILESOC1CCC(O)c2ccccc21
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-12H,5-6H2
InChIKeyFTCMTZXWNUAYHT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.55
Rot. Bonds

About 1,2,3,4-tetrahydronaphthalene-1,4-diol

1,2,3,4-tetrahydronaphthalene-1,4-diol (PubChem CID 14440163) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-1,4-diol.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-1,4-diol
PubChem CID14440163
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1,2,3,4-tetrahydronaphthalene-1,4-diol
SMILESOC1CCC(O)c2ccccc21
InChIInChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-12H,5-6H2
InChIKeyFTCMTZXWNUAYHT-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-1,4-diol?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-1,4-diol (CID 14440163) is 1,2,3,4-tetrahydronaphthalene-1,4-diol.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-1,4-diol?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-1,4-diol is OC1CCC(O)c2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-1,4-diol?
The InChIKey is FTCMTZXWNUAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-4,9-12H,5-6H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-1,4-diol?
1,2,3,4-tetrahydronaphthalene-1,4-diol has a molecular weight of 164.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-1,4-diol is sourced from PubChem (CID 14440163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).