3-methylperoxynaphthalen-2-ol

C11H10O3 — CID 88579478

IUPAC3-methylperoxynaphthalen-2-ol
SMILESCOOc1cc2ccccc2cc1O
InChIInChI=1S/C11H10O3/c1-13-14-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3
InChIKeyNTLXDOBUUVXPAL-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.49
Rot. Bonds2

About 3-methylperoxynaphthalen-2-ol

3-methylperoxynaphthalen-2-ol (PubChem CID 88579478) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-methylperoxynaphthalen-2-ol.

Molecular Properties

Compound Name3-methylperoxynaphthalen-2-ol
PubChem CID88579478
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-methylperoxynaphthalen-2-ol
SMILESCOOc1cc2ccccc2cc1O
InChIInChI=1S/C11H10O3/c1-13-14-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3
InChIKeyNTLXDOBUUVXPAL-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methylperoxyphenol
CID 18702042
(3-hydroxynaphthalen-2-yl)oxyboronic acid
CID 142698504
bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
CID 174984804
naphthalene-2,3-diol;titanium
CID 87616563
sodium naphthalene-2,3-diol
CID 23069442
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
3-(6-methylpyridazin-3-yl)oxynaphthalen-2-ol
CID 61313118
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307

Frequently Asked Questions

What is the IUPAC name of 3-methylperoxynaphthalen-2-ol?
The IUPAC name of 3-methylperoxynaphthalen-2-ol (CID 88579478) is 3-methylperoxynaphthalen-2-ol.
What is the SMILES notation for 3-methylperoxynaphthalen-2-ol?
The canonical SMILES for 3-methylperoxynaphthalen-2-ol is COOc1cc2ccccc2cc1O.
What is the InChIKey of 3-methylperoxynaphthalen-2-ol?
The InChIKey is NTLXDOBUUVXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-13-14-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-7,12H,1H3.
What are the key properties of 3-methylperoxynaphthalen-2-ol?
3-methylperoxynaphthalen-2-ol has a molecular weight of 190.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylperoxynaphthalen-2-ol is sourced from PubChem (CID 88579478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).