2-(4-methoxyphenoxy)naphthalene-1,4-diol

C17H14O4 — CID 19886904

IUPAC2-(4-methoxyphenoxy)naphthalene-1,4-diol
SMILESCOc1ccc(Oc2cc(O)c3ccccc3c2O)cc1
InChIInChI=1S/C17H14O4/c1-20-11-6-8-12(9-7-11)21-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
InChIKeyGIYACVAQRISPJK-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-methoxyphenoxy)naphthalene-1,4-diol

2-(4-methoxyphenoxy)naphthalene-1,4-diol (PubChem CID 19886904) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)naphthalene-1,4-diol.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)naphthalene-1,4-diol
PubChem CID19886904
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-(4-methoxyphenoxy)naphthalene-1,4-diol
SMILESCOc1ccc(Oc2cc(O)c3ccccc3c2O)cc1
InChIInChI=1S/C17H14O4/c1-20-11-6-8-12(9-7-11)21-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3
InChIKeyGIYACVAQRISPJK-UHFFFAOYSA-N
XLogP4.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)naphthalene-1,4-diol?
The IUPAC name of 2-(4-methoxyphenoxy)naphthalene-1,4-diol (CID 19886904) is 2-(4-methoxyphenoxy)naphthalene-1,4-diol.
What is the SMILES notation for 2-(4-methoxyphenoxy)naphthalene-1,4-diol?
The canonical SMILES for 2-(4-methoxyphenoxy)naphthalene-1,4-diol is COc1ccc(Oc2cc(O)c3ccccc3c2O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)naphthalene-1,4-diol?
The InChIKey is GIYACVAQRISPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-11-6-8-12(9-7-11)21-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)naphthalene-1,4-diol?
2-(4-methoxyphenoxy)naphthalene-1,4-diol has a molecular weight of 282.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)naphthalene-1,4-diol is sourced from PubChem (CID 19886904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).