1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol

C16H12O4 — CID 121311364

IUPAC1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
SMILESOc1ccc(O)c(-c2c(O)ccc3ccc(O)cc23)c1
InChIInChI=1S/C16H12O4/c17-10-3-1-9-2-5-15(20)16(12(9)7-10)13-8-11(18)4-6-14(13)19/h1-8,17-20H
InChIKeyPFHPQEUCEZOSCA-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.33
Rot. Bonds1

About 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol

1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol (PubChem CID 121311364) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol.

Molecular Properties

Compound Name1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
PubChem CID121311364
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
SMILESOc1ccc(O)c(-c2c(O)ccc3ccc(O)cc23)c1
InChIInChI=1S/C16H12O4/c17-10-3-1-9-2-5-15(20)16(12(9)7-10)13-8-11(18)4-6-14(13)19/h1-8,17-20H
InChIKeyPFHPQEUCEZOSCA-UHFFFAOYSA-N
XLogP3.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.33
H-Bond Donors ≤ 54
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 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol?
The IUPAC name of 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol (CID 121311364) is 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol.
What is the SMILES notation for 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol?
The canonical SMILES for 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol is Oc1ccc(O)c(-c2c(O)ccc3ccc(O)cc23)c1.
What is the InChIKey of 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol?
The InChIKey is PFHPQEUCEZOSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-10-3-1-9-2-5-15(20)16(12(9)7-10)13-8-11(18)4-6-14(13)19/h1-8,17-20H.
What are the key properties of 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol?
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol has a molecular weight of 268.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol is sourced from PubChem (CID 121311364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).