(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol

C12H14O3 — CID 135080425

IUPAC(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol
SMILESCC1(C)Oc2ccc(CO)cc2C2OC21
InChIInChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-5-7(6-13)3-4-9(8)15-12/h3-5,10-11,13H,6H2,1-2H3
InChIKeyGFSKSSBBSVPEQX-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds1

About (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol

(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol (PubChem CID 135080425) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol
PubChem CID135080425
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol
SMILESCC1(C)Oc2ccc(CO)cc2C2OC21
InChIInChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-5-7(6-13)3-4-9(8)15-12/h3-5,10-11,13H,6H2,1-2H3
InChIKeyGFSKSSBBSVPEQX-UHFFFAOYSA-N
XLogP1.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol?
The IUPAC name of (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol (CID 135080425) is (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol?
The canonical SMILES for (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol is CC1(C)Oc2ccc(CO)cc2C2OC21.
What is the InChIKey of (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol?
The InChIKey is GFSKSSBBSVPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)11-10(14-11)8-5-7(6-13)3-4-9(8)15-12/h3-5,10-11,13H,6H2,1-2H3.
What are the key properties of (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol?
(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol has a molecular weight of 206.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl)methanol is sourced from PubChem (CID 135080425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).