2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol

C19H18O3 — CID 22145462

IUPAC2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol
SMILESCC(C)Oc1ccc(-c2ccc3cc(O)ccc3c2O)cc1
InChIInChI=1S/C19H18O3/c1-12(2)22-16-7-3-13(4-8-16)17-9-5-14-11-15(20)6-10-18(14)19(17)21/h3-12,20-21H,1-2H3
InChIKeyWNDJVYDYZINKLN-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol

2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol (PubChem CID 22145462) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol
PubChem CID22145462
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol
SMILESCC(C)Oc1ccc(-c2ccc3cc(O)ccc3c2O)cc1
InChIInChI=1S/C19H18O3/c1-12(2)22-16-7-3-13(4-8-16)17-9-5-14-11-15(20)6-10-18(14)19(17)21/h3-12,20-21H,1-2H3
InChIKeyWNDJVYDYZINKLN-UHFFFAOYSA-N
XLogP4.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol (CID 22145462) is 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol is CC(C)Oc1ccc(-c2ccc3cc(O)ccc3c2O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol?
The InChIKey is WNDJVYDYZINKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-12(2)22-16-7-3-13(4-8-16)17-9-5-14-11-15(20)6-10-18(14)19(17)21/h3-12,20-21H,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol?
2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol has a molecular weight of 294.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol is sourced from PubChem (CID 22145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).