6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene

C12H14O2 — CID 82468795

IUPAC6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
SMILESCC1(c2ccc3c(c2)CCCO3)CO1
InChIInChI=1S/C12H14O2/c1-12(8-14-12)10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHYJWFCHEELTFCP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.26
Rot. Bonds1

About 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene

6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene (PubChem CID 82468795) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
PubChem CID82468795
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
SMILESCC1(c2ccc3c(c2)CCCO3)CO1
InChIInChI=1S/C12H14O2/c1-12(8-14-12)10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHYJWFCHEELTFCP-UHFFFAOYSA-N
XLogP2.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.26
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

methanol;6-methyl-3,4-dihydro-2H-chromene;2,2,3,3-tetramethyloxetane
CID 144768692
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
CID 59636910
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
CID 159329974
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene (CID 82468795) is 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene is CC1(c2ccc3c(c2)CCCO3)CO1.
What is the InChIKey of 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene?
The InChIKey is HYJWFCHEELTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(8-14-12)10-4-5-11-9(7-10)3-2-6-13-11/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene?
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene has a molecular weight of 190.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 82468795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).