ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol

C13H22O2 — CID 177208153

IUPACethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
SMILESCC.Cc1ccccc1OCC(C)(C)O
InChIInChI=1S/C11H16O2.C2H6/c1-9-6-4-5-7-10(9)13-8-11(2,3)12;1-2/h4-7,12H,8H2,1-3H3;1-2H3
InChIKeyWFVLEBCFLBSQBM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.17
Rot. Bonds3

About ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol

ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol (PubChem CID 177208153) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
PubChem CID177208153
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
SMILESCC.Cc1ccccc1OCC(C)(C)O
InChIInChI=1S/C11H16O2.C2H6/c1-9-6-4-5-7-10(9)13-8-11(2,3)12;1-2/h4-7,12H,8H2,1-3H3;1-2H3
InChIKeyWFVLEBCFLBSQBM-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-methyl-1-(2-methylphenoxy)propan-2-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

1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
2,2-dimethyl-3-(2-methylphenoxy)propanethioamide
CID 82080504
1-[2-[(1S)-1-hydroxyethyl]phenoxy]-2-methylpropan-2-ol
CID 78931116
2-methyl-1-(2-prop-2-ynoxyphenoxy)propan-2-ol
CID 109416531
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
2-(2-methylphenoxy)propan-2-ol
CID 21192257
2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64802104
1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
CID 64814214
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 70906490

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol?
The IUPAC name of ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol (CID 177208153) is ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol is CC.Cc1ccccc1OCC(C)(C)O.
What is the InChIKey of ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol?
The InChIKey is WFVLEBCFLBSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-9-6-4-5-7-10(9)13-8-11(2,3)12;1-2/h4-7,12H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol?
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 177208153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).