4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene

C12H13FO2 — CID 146360843

IUPAC4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOc1cc(F)c2c(c1)C1(C)OC1CC2
InChIInChI=1S/C12H13FO2/c1-12-9-5-7(14-2)6-10(13)8(9)3-4-11(12)15-12/h5-6,11H,3-4H2,1-2H3
InChIKeyGNXINWBOJIXZQS-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.39
Rot. Bonds1

About 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene

4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene (PubChem CID 146360843) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene.

Molecular Properties

Compound Name4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
PubChem CID146360843
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOc1cc(F)c2c(c1)C1(C)OC1CC2
InChIInChI=1S/C12H13FO2/c1-12-9-5-7(14-2)6-10(13)8(9)3-4-11(12)15-12/h5-6,11H,3-4H2,1-2H3
InChIKeyGNXINWBOJIXZQS-UHFFFAOYSA-N
XLogP2.39
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
N-[(1R)-6-fluoro-4-methoxy-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]hydroxylamine
CID 139492342
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
CID 130064686
2-(2-cyclopropyl-6-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169153989
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
2-(2-fluoro-4-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 22615139
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
7-fluoro-5-methoxyspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 163293711
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
(3aS,9bR)-8-methoxy-9b-methyl-1,2,3,3a,4,5-hexahydrobenzo[e]indole
CID 132566320

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The IUPAC name of 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene (CID 146360843) is 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene.
What is the SMILES notation for 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The canonical SMILES for 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene is COc1cc(F)c2c(c1)C1(C)OC1CC2.
What is the InChIKey of 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The InChIKey is GNXINWBOJIXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-12-9-5-7(14-2)6-10(13)8(9)3-4-11(12)15-12/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene has a molecular weight of 208.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene is sourced from PubChem (CID 146360843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).