3-methyl-3-phenoxypentane-1,2-diol

C12H18O3 — CID 174459303

IUPAC3-methyl-3-phenoxypentane-1,2-diol
SMILESCCC(C)(Oc1ccccc1)C(O)CO
InChIInChI=1S/C12H18O3/c1-3-12(2,11(14)9-13)15-10-7-5-4-6-8-10/h4-8,11,13-14H,3,9H2,1-2H3
InChIKeyVSYGDSXZAABZBC-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.59
Rot. Bonds5

About 3-methyl-3-phenoxypentane-1,2-diol

3-methyl-3-phenoxypentane-1,2-diol (PubChem CID 174459303) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-methyl-3-phenoxypentane-1,2-diol.

Molecular Properties

Compound Name3-methyl-3-phenoxypentane-1,2-diol
PubChem CID174459303
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-methyl-3-phenoxypentane-1,2-diol
SMILESCCC(C)(Oc1ccccc1)C(O)CO
InChIInChI=1S/C12H18O3/c1-3-12(2,11(14)9-13)15-10-7-5-4-6-8-10/h4-8,11,13-14H,3,9H2,1-2H3
InChIKeyVSYGDSXZAABZBC-UHFFFAOYSA-N
XLogP1.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenoxypentan-3-ol
CID 54041367
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-phenoxybutan-2-ylphosphane
CID 89070581
3-methyl-3-phenoxybutan-1-ol
CID 59317089
2-iodopropan-2-yloxybenzene
CID 147876431
2,2-diphenoxybutanoic acid
CID 159827255
propan-2-ol;trifluoromethoxybenzene
CID 161029707
1,2,2-trichloro-2-phenoxyethanol
CID 70373025
1,1-diphenoxypropoxyphosphane
CID 175052143
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenoxypentane-1,2-diol?
The IUPAC name of 3-methyl-3-phenoxypentane-1,2-diol (CID 174459303) is 3-methyl-3-phenoxypentane-1,2-diol.
What is the SMILES notation for 3-methyl-3-phenoxypentane-1,2-diol?
The canonical SMILES for 3-methyl-3-phenoxypentane-1,2-diol is CCC(C)(Oc1ccccc1)C(O)CO.
What is the InChIKey of 3-methyl-3-phenoxypentane-1,2-diol?
The InChIKey is VSYGDSXZAABZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-12(2,11(14)9-13)15-10-7-5-4-6-8-10/h4-8,11,13-14H,3,9H2,1-2H3.
What are the key properties of 3-methyl-3-phenoxypentane-1,2-diol?
3-methyl-3-phenoxypentane-1,2-diol has a molecular weight of 210.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenoxypentane-1,2-diol is sourced from PubChem (CID 174459303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).