2-methyl-2-phenoxypentan-3-ol

C12H18O2 — CID 54041367

IUPAC2-methyl-2-phenoxypentan-3-ol
SMILESCCC(O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C12H18O2/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3
InChIKeyWPFBDZHXYISZQH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-2-phenoxypentan-3-ol

2-methyl-2-phenoxypentan-3-ol (PubChem CID 54041367) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-methyl-2-phenoxypentan-3-ol.

Molecular Properties

Compound Name2-methyl-2-phenoxypentan-3-ol
PubChem CID54041367
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-methyl-2-phenoxypentan-3-ol
SMILESCCC(O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C12H18O2/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3
InChIKeyWPFBDZHXYISZQH-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethylamino)-3-methyl-3-phenoxybutan-2-ol
CID 71440371
3-methyl-3-phenoxypentane-1,2-diol
CID 174459303
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-iodopropan-2-yloxybenzene
CID 147876431
(3-bromo-2-methylpentadecan-2-yl)oxybenzene
CID 69017842
propan-2-ol;trifluoromethoxybenzene
CID 161029707
2-phenoxybutan-2-ylphosphane
CID 89070581
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
3-methyl-3-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70475201
1-chloro-1-phenoxyethanol
CID 66681023
1-phenoxybutane-1,2-diol
CID 19866542
3-methyl-3-phenoxybutan-1-ol
CID 59317089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxypentan-3-ol?
The IUPAC name of 2-methyl-2-phenoxypentan-3-ol (CID 54041367) is 2-methyl-2-phenoxypentan-3-ol.
What is the SMILES notation for 2-methyl-2-phenoxypentan-3-ol?
The canonical SMILES for 2-methyl-2-phenoxypentan-3-ol is CCC(O)C(C)(C)Oc1ccccc1.
What is the InChIKey of 2-methyl-2-phenoxypentan-3-ol?
The InChIKey is WPFBDZHXYISZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-11(13)12(2,3)14-10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3.
What are the key properties of 2-methyl-2-phenoxypentan-3-ol?
2-methyl-2-phenoxypentan-3-ol has a molecular weight of 194.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxypentan-3-ol is sourced from PubChem (CID 54041367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).