7-propan-2-ylnaphthalene-1,6-diol

C13H14O2 — CID 138738541

IUPAC7-propan-2-ylnaphthalene-1,6-diol
SMILESCC(C)c1cc2c(O)cccc2cc1O
InChIInChI=1S/C13H14O2/c1-8(2)10-7-11-9(6-13(10)15)4-3-5-12(11)14/h3-8,14-15H,1-2H3
InChIKeyFGYYUDVDGHLJSF-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.37
Rot. Bonds1

About 7-propan-2-ylnaphthalene-1,6-diol

7-propan-2-ylnaphthalene-1,6-diol (PubChem CID 138738541) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 7-propan-2-ylnaphthalene-1,6-diol.

Molecular Properties

Compound Name7-propan-2-ylnaphthalene-1,6-diol
PubChem CID138738541
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name7-propan-2-ylnaphthalene-1,6-diol
SMILESCC(C)c1cc2c(O)cccc2cc1O
InChIInChI=1S/C13H14O2/c1-8(2)10-7-11-9(6-13(10)15)4-3-5-12(11)14/h3-8,14-15H,1-2H3
InChIKeyFGYYUDVDGHLJSF-UHFFFAOYSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylnaphthalene-1,6-diol?
The IUPAC name of 7-propan-2-ylnaphthalene-1,6-diol (CID 138738541) is 7-propan-2-ylnaphthalene-1,6-diol.
What is the SMILES notation for 7-propan-2-ylnaphthalene-1,6-diol?
The canonical SMILES for 7-propan-2-ylnaphthalene-1,6-diol is CC(C)c1cc2c(O)cccc2cc1O.
What is the InChIKey of 7-propan-2-ylnaphthalene-1,6-diol?
The InChIKey is FGYYUDVDGHLJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(2)10-7-11-9(6-13(10)15)4-3-5-12(11)14/h3-8,14-15H,1-2H3.
What are the key properties of 7-propan-2-ylnaphthalene-1,6-diol?
7-propan-2-ylnaphthalene-1,6-diol has a molecular weight of 202.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylnaphthalene-1,6-diol is sourced from PubChem (CID 138738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).