2-(oxetan-3-yl)-3,4-dihydro-2H-chromene

C12H14O2 — CID 175976158

IUPAC2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CCC(C1COC1)O2
InChIInChI=1S/C12H14O2/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10/h1-4,10,12H,5-8H2
InChIKeyFNKKOJCODIPFNC-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.03
Rot. Bonds1

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

2-(oxetan-3-yl)-3,4-dihydro-2H-chromene (PubChem CID 175976158) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
PubChem CID175976158
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
SMILESc1ccc2c(c1)CCC(C1COC1)O2
InChIInChI=1S/C12H14O2/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10/h1-4,10,12H,5-8H2
InChIKeyFNKKOJCODIPFNC-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
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2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
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(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
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CID 22593685
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
2,3,4,5-tetrahydro-1-benzoxepin-2-ol
CID 118271774
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
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(2S)-2-ethenyl-3,4-dihydro-2H-chromene
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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene (CID 175976158) is 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene is c1ccc2c(c1)CCC(C1COC1)O2.
What is the InChIKey of 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene?
The InChIKey is FNKKOJCODIPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10/h1-4,10,12H,5-8H2.
What are the key properties of 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene?
2-(oxetan-3-yl)-3,4-dihydro-2H-chromene has a molecular weight of 190.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 175976158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).