(1,4-dihydroxynaphthalen-2-yl) formate

C11H8O4 — CID 174428973

IUPAC(1,4-dihydroxynaphthalen-2-yl) formate
SMILESO=COc1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H8O4/c12-6-15-10-5-9(13)7-3-1-2-4-8(7)11(10)14/h1-6,13-14H
InChIKeyRTSQTDREZTWIFT-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.79
Rot. Bonds2

About (1,4-dihydroxynaphthalen-2-yl) formate

(1,4-dihydroxynaphthalen-2-yl) formate (PubChem CID 174428973) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is (1,4-dihydroxynaphthalen-2-yl) formate.

Molecular Properties

Compound Name(1,4-dihydroxynaphthalen-2-yl) formate
PubChem CID174428973
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name(1,4-dihydroxynaphthalen-2-yl) formate
SMILESO=COc1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H8O4/c12-6-15-10-5-9(13)7-3-1-2-4-8(7)11(10)14/h1-6,13-14H
InChIKeyRTSQTDREZTWIFT-UHFFFAOYSA-N
XLogP1.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxynaphthalen-2-yl) formate?
The IUPAC name of (1,4-dihydroxynaphthalen-2-yl) formate (CID 174428973) is (1,4-dihydroxynaphthalen-2-yl) formate.
What is the SMILES notation for (1,4-dihydroxynaphthalen-2-yl) formate?
The canonical SMILES for (1,4-dihydroxynaphthalen-2-yl) formate is O=COc1cc(O)c2ccccc2c1O.
What is the InChIKey of (1,4-dihydroxynaphthalen-2-yl) formate?
The InChIKey is RTSQTDREZTWIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-6-15-10-5-9(13)7-3-1-2-4-8(7)11(10)14/h1-6,13-14H.
What are the key properties of (1,4-dihydroxynaphthalen-2-yl) formate?
(1,4-dihydroxynaphthalen-2-yl) formate has a molecular weight of 204.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxynaphthalen-2-yl) formate is sourced from PubChem (CID 174428973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).