3-methyl-2-(phenoxymethyl)butan-1-ol

C12H18O2 — CID 15214280

IUPAC3-methyl-2-(phenoxymethyl)butan-1-ol
SMILESCC(C)C(CO)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)11(8-13)9-14-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyDJUMETILRYYPFV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.33
Rot. Bonds5

About 3-methyl-2-(phenoxymethyl)butan-1-ol

3-methyl-2-(phenoxymethyl)butan-1-ol (PubChem CID 15214280) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-2-(phenoxymethyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(phenoxymethyl)butan-1-ol
PubChem CID15214280
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-2-(phenoxymethyl)butan-1-ol
SMILESCC(C)C(CO)COc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)11(8-13)9-14-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyDJUMETILRYYPFV-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(phenoxymethyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenoxypropane-1,2-diol
CID 158587241
ethane;1-phenoxypropan-2-ol
CID 90926921
3-phenoxypropane-1,2-diol
CID 10857
ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
actinium;3-phenoxypropane-1,2-diol
CID 22981458
CID 142401703
CID 142401703
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
2-hydroxy-3-phenoxypropanoic acid
CID 67592895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(phenoxymethyl)butan-1-ol?
The IUPAC name of 3-methyl-2-(phenoxymethyl)butan-1-ol (CID 15214280) is 3-methyl-2-(phenoxymethyl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(phenoxymethyl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(phenoxymethyl)butan-1-ol is CC(C)C(CO)COc1ccccc1.
What is the InChIKey of 3-methyl-2-(phenoxymethyl)butan-1-ol?
The InChIKey is DJUMETILRYYPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)11(8-13)9-14-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-(phenoxymethyl)butan-1-ol?
3-methyl-2-(phenoxymethyl)butan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(phenoxymethyl)butan-1-ol is sourced from PubChem (CID 15214280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).