CID 59269157

C12H14O2 — CID 59269157

IUPAC—
SMILES[CH]CC1COC(c2ccccc2)OC1
InChIInChI=1S/C12H14O2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h1,3-7,10,12H,2,8-9H2
InChIKeyHRMFLDFOUZUKOS-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.45
Rot. Bonds2

About CID 59269157

CID 59269157 (PubChem CID 59269157) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol.

Molecular Properties

Compound NameCID 59269157
PubChem CID59269157
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name—
SMILES[CH]CC1COC(c2ccccc2)OC1
InChIInChI=1S/C12H14O2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h1,3-7,10,12H,2,8-9H2
InChIKeyHRMFLDFOUZUKOS-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-bromohexyl)-2-phenyl-1,3-dioxane
CID 58676112
4-phenyl-3,5-dioxa-8-thiabicyclo[5.1.0]octane
CID 162369787
hydroxy-dimethyl-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propan-2-yl]silane
CID 71170874
2-phenyl-5-prop-2-ynoxy-1,3-dioxane
CID 134275643
2-phenyl-5-[6-[(2-phenyl-1,3-dioxan-5-yl)oxy]hexoxy]-1,3-dioxane
CID 59848177
2-[2-methyl-1-(2-phenyl-1,3-dioxan-5-yl)propyl]propane-1,3-diol
CID 14176964
2-phenyl-1,3-dioxonane
CID 70602118
4-ethynyl-2-phenyl-1,3-dioxolane
CID 85419917
2-(4-methylphenyl)-5-phenyl-1,3-dioxane
CID 144692145
4-tert-butyl-2-phenyl-1,3-dioxolane
CID 13289090
2-phenyl-1,3-dioxane-5-carbonyl chloride
CID 18682418
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056

Frequently Asked Questions

What is the IUPAC name of CID 59269157?
The IUPAC name of CID 59269157 (CID 59269157) is not available.
What is the SMILES notation for CID 59269157?
The canonical SMILES for CID 59269157 is [CH]CC1COC(c2ccccc2)OC1.
What is the InChIKey of CID 59269157?
The InChIKey is HRMFLDFOUZUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h1,3-7,10,12H,2,8-9H2.
What are the key properties of CID 59269157?
CID 59269157 has a molecular weight of 190.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269157 is sourced from PubChem (CID 59269157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).