ethane;3-methyl-2-propoxyphenol

C12H20O2 — CID 143473467

IUPACethane;3-methyl-2-propoxyphenol
SMILESCC.CCCOc1c(C)cccc1O
InChIInChI=1S/C10H14O2.C2H6/c1-3-7-12-10-8(2)5-4-6-9(10)11;1-2/h4-6,11H,3,7H2,1-2H3;1-2H3
InChIKeyOUWMOEHTXLDSDT-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.52
Rot. Bonds3

About ethane;3-methyl-2-propoxyphenol

ethane;3-methyl-2-propoxyphenol (PubChem CID 143473467) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;3-methyl-2-propoxyphenol.

Molecular Properties

Compound Nameethane;3-methyl-2-propoxyphenol
PubChem CID143473467
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethane;3-methyl-2-propoxyphenol
SMILESCC.CCCOc1c(C)cccc1O
InChIInChI=1S/C10H14O2.C2H6/c1-3-7-12-10-8(2)5-4-6-9(10)11;1-2/h4-6,11H,3,7H2,1-2H3;1-2H3
InChIKeyOUWMOEHTXLDSDT-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-2-propoxybenzene
CID 579040
1-bromo-3-methyl-2-propoxybenzene
CID 58352154
3-ethoxy-2-propoxyphenol
CID 174814735
2-butoxybenzene-1,3-diol
CID 101011168
2-decoxy-1,3-dimethylbenzene
CID 83057478
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
2,3-dipentoxyphenol
CID 57426098
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-propoxyphenol?
The IUPAC name of ethane;3-methyl-2-propoxyphenol (CID 143473467) is ethane;3-methyl-2-propoxyphenol.
What is the SMILES notation for ethane;3-methyl-2-propoxyphenol?
The canonical SMILES for ethane;3-methyl-2-propoxyphenol is CC.CCCOc1c(C)cccc1O.
What is the InChIKey of ethane;3-methyl-2-propoxyphenol?
The InChIKey is OUWMOEHTXLDSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C2H6/c1-3-7-12-10-8(2)5-4-6-9(10)11;1-2/h4-6,11H,3,7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-2-propoxyphenol?
ethane;3-methyl-2-propoxyphenol has a molecular weight of 196.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-propoxyphenol is sourced from PubChem (CID 143473467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).