2-methylnaphtho[1,2-b]oxirene

C11H8O — CID 141434022

IUPAC2-methylnaphtho[1,2-b]oxirene
SMILESCc1cc2ccccc2c2c1O2
InChIInChI=1S/C11H8O/c1-7-6-8-4-2-3-5-9(8)11-10(7)12-11/h2-6H,1H3
InChIKeyAMPKNBIBBSWWOF-UHFFFAOYSA-N
MW156.18 g/mol
LogP3.25
Rot. Bonds

About 2-methylnaphtho[1,2-b]oxirene

2-methylnaphtho[1,2-b]oxirene (PubChem CID 141434022) has the molecular formula C11H8O and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methylnaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name2-methylnaphtho[1,2-b]oxirene
PubChem CID141434022
Molecular FormulaC11H8O
Molecular Weight156.18 g/mol
Exact Mass156.06
IUPAC Name2-methylnaphtho[1,2-b]oxirene
SMILESCc1cc2ccccc2c2c1O2
InChIInChI=1S/C11H8O/c1-7-6-8-4-2-3-5-9(8)11-10(7)12-11/h2-6H,1H3
InChIKeyAMPKNBIBBSWWOF-UHFFFAOYSA-N
XLogP3.25
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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ethane;methane;9-methylphenanthrene
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10,14-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169260861
1,3,10-trimethylphenanthrene
CID 12996190
10,16-dimethyl-13-sulfanyl-13-sulfanylidene-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 164665042
10,13,16-trimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
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1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphtho[1,2-b]oxirene?
The IUPAC name of 2-methylnaphtho[1,2-b]oxirene (CID 141434022) is 2-methylnaphtho[1,2-b]oxirene.
What is the SMILES notation for 2-methylnaphtho[1,2-b]oxirene?
The canonical SMILES for 2-methylnaphtho[1,2-b]oxirene is Cc1cc2ccccc2c2c1O2.
What is the InChIKey of 2-methylnaphtho[1,2-b]oxirene?
The InChIKey is AMPKNBIBBSWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O/c1-7-6-8-4-2-3-5-9(8)11-10(7)12-11/h2-6H,1H3.
What are the key properties of 2-methylnaphtho[1,2-b]oxirene?
2-methylnaphtho[1,2-b]oxirene has a molecular weight of 156.18 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphtho[1,2-b]oxirene is sourced from PubChem (CID 141434022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).