1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol

C11H14O2 — CID 115010784

IUPAC1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCC1c2cc(O)ccc2CCC1O
InChIInChI=1S/C11H14O2/c1-7-10-6-9(12)4-2-8(10)3-5-11(7)13/h2,4,6-7,11-13H,3,5H2,1H3
InChIKeyLJBIQXJSQUYQDH-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.80
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol

1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol (PubChem CID 115010784) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
PubChem CID115010784
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCC1c2cc(O)ccc2CCC1O
InChIInChI=1S/C11H14O2/c1-7-10-6-9(12)4-2-8(10)3-5-11(7)13/h2,4,6-7,11-13H,3,5H2,1H3
InChIKeyLJBIQXJSQUYQDH-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol (CID 115010784) is 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol is CC1c2cc(O)ccc2CCC1O.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The InChIKey is LJBIQXJSQUYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-10-6-9(12)4-2-8(10)3-5-11(7)13/h2,4,6-7,11-13H,3,5H2,1H3.
What are the key properties of 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol?
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol has a molecular weight of 178.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol is sourced from PubChem (CID 115010784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).