ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol

C13H22O2 — CID 145081687

IUPACethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
SMILESCC.COc1cc(C(C)(C)O)ccc1C
InChIInChI=1S/C11H16O2.C2H6/c1-8-5-6-9(11(2,3)12)7-10(8)13-4;1-2/h5-7,12H,1-4H3;1-2H3
InChIKeyDFLMTHPZESRRAH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.26
Rot. Bonds2

About ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol

ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol (PubChem CID 145081687) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
PubChem CID145081687
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
SMILESCC.COc1cc(C(C)(C)O)ccc1C
InChIInChI=1S/C11H16O2.C2H6/c1-8-5-6-9(11(2,3)12)7-10(8)13-4;1-2/h5-7,12H,1-4H3;1-2H3
InChIKeyDFLMTHPZESRRAH-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
4-(1,1-difluorobut-3-enyl)-2-methoxy-1-methylbenzene
CID 162555196
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol?
The IUPAC name of ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol (CID 145081687) is ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol.
What is the SMILES notation for ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol?
The canonical SMILES for ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol is CC.COc1cc(C(C)(C)O)ccc1C.
What is the InChIKey of ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol?
The InChIKey is DFLMTHPZESRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-8-5-6-9(11(2,3)12)7-10(8)13-4;1-2/h5-7,12H,1-4H3;1-2H3.
What are the key properties of ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol?
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 145081687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).