3-ethyl-2-methyl-4-propan-2-yloxyphenol

C12H18O2 — CID 162375077

IUPAC3-ethyl-2-methyl-4-propan-2-yloxyphenol
SMILESCCc1c(OC(C)C)ccc(O)c1C
InChIInChI=1S/C12H18O2/c1-5-10-9(4)11(13)6-7-12(10)14-8(2)3/h6-8,13H,5H2,1-4H3
InChIKeyWHJBDSAKIDCGGA-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.05
Rot. Bonds3

About 3-ethyl-2-methyl-4-propan-2-yloxyphenol

3-ethyl-2-methyl-4-propan-2-yloxyphenol (PubChem CID 162375077) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-propan-2-yloxyphenol.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-propan-2-yloxyphenol
PubChem CID162375077
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-ethyl-2-methyl-4-propan-2-yloxyphenol
SMILESCCc1c(OC(C)C)ccc(O)c1C
InChIInChI=1S/C12H18O2/c1-5-10-9(4)11(13)6-7-12(10)14-8(2)3/h6-8,13H,5H2,1-4H3
InChIKeyWHJBDSAKIDCGGA-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,6-dimethyl-4-propan-2-yloxyphenol
CID 162375132
2,6-diethyl-3,5-dimethyl-4-propan-2-yloxyphenol
CID 162375100
4-ethoxy-2-ethyl-3-methylphenol
CID 162375114
2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
CID 117300578
(2-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
2,5-diethyl-4-propan-2-yloxyphenol
CID 162375189
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
2-ethyl-1-propan-2-yloxy-3-prop-1-enylbenzene
CID 90838901
2,5-di(propan-2-yloxy)phenol
CID 57426094
2,3,5,6-tetraethyl-4-propan-2-yloxyphenol
CID 162375098
N-ethyl-5-methyl-2-propan-2-yloxyaniline
CID 82263376
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-propan-2-yloxyphenol?
The IUPAC name of 3-ethyl-2-methyl-4-propan-2-yloxyphenol (CID 162375077) is 3-ethyl-2-methyl-4-propan-2-yloxyphenol.
What is the SMILES notation for 3-ethyl-2-methyl-4-propan-2-yloxyphenol?
The canonical SMILES for 3-ethyl-2-methyl-4-propan-2-yloxyphenol is CCc1c(OC(C)C)ccc(O)c1C.
What is the InChIKey of 3-ethyl-2-methyl-4-propan-2-yloxyphenol?
The InChIKey is WHJBDSAKIDCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10-9(4)11(13)6-7-12(10)14-8(2)3/h6-8,13H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-methyl-4-propan-2-yloxyphenol?
3-ethyl-2-methyl-4-propan-2-yloxyphenol has a molecular weight of 194.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-propan-2-yloxyphenol is sourced from PubChem (CID 162375077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).