2-hydroperoxy-7-methoxynaphthalene

C11H10O3 — CID 142950271

IUPAC2-hydroperoxy-7-methoxynaphthalene
SMILESCOc1ccc2ccc(OO)cc2c1
InChIInChI=1S/C11H10O3/c1-13-10-4-2-8-3-5-11(14-12)7-9(8)6-10/h2-7,12H,1H3
InChIKeyOEZOLYGEWIBBPU-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.70
Rot. Bonds2

About 2-hydroperoxy-7-methoxynaphthalene

2-hydroperoxy-7-methoxynaphthalene (PubChem CID 142950271) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-hydroperoxy-7-methoxynaphthalene.

Molecular Properties

Compound Name2-hydroperoxy-7-methoxynaphthalene
PubChem CID142950271
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-hydroperoxy-7-methoxynaphthalene
SMILESCOc1ccc2ccc(OO)cc2c1
InChIInChI=1S/C11H10O3/c1-13-10-4-2-8-3-5-11(14-12)7-9(8)6-10/h2-7,12H,1H3
InChIKeyOEZOLYGEWIBBPU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene
CID 144731545
1-hydroperoxy-4-(4-methoxyphenyl)peroxybenzene;methanol
CID 144731544
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-7-methoxynaphthalene?
The IUPAC name of 2-hydroperoxy-7-methoxynaphthalene (CID 142950271) is 2-hydroperoxy-7-methoxynaphthalene.
What is the SMILES notation for 2-hydroperoxy-7-methoxynaphthalene?
The canonical SMILES for 2-hydroperoxy-7-methoxynaphthalene is COc1ccc2ccc(OO)cc2c1.
What is the InChIKey of 2-hydroperoxy-7-methoxynaphthalene?
The InChIKey is OEZOLYGEWIBBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-13-10-4-2-8-3-5-11(14-12)7-9(8)6-10/h2-7,12H,1H3.
What are the key properties of 2-hydroperoxy-7-methoxynaphthalene?
2-hydroperoxy-7-methoxynaphthalene has a molecular weight of 190.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-7-methoxynaphthalene is sourced from PubChem (CID 142950271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).