3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol

C12H18O3 — CID 84677805

IUPAC3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1C(C)(C)O
InChIInChI=1S/C12H18O3/c1-5-8-6-7-9(15-4)11(13)10(8)12(2,3)14/h6-7,13-14H,5H2,1-4H3
InChIKeyPNLNQQCUPWSAGD-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.19
Rot. Bonds3

About 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol

3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol (PubChem CID 84677805) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
PubChem CID84677805
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
SMILESCCc1ccc(OC)c(O)c1C(C)(C)O
InChIInChI=1S/C12H18O3/c1-5-8-6-7-9(15-4)11(13)10(8)12(2,3)14/h6-7,13-14H,5H2,1-4H3
InChIKeyPNLNQQCUPWSAGD-UHFFFAOYSA-N
XLogP2.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol 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

6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
7-ethyl-2-[(8-hydroxy-7-methoxyquinolin-2-yl)methyl]quinolin-8-ol
CID 70973017
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117419964
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The IUPAC name of 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol (CID 84677805) is 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol.
What is the SMILES notation for 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The canonical SMILES for 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol is CCc1ccc(OC)c(O)c1C(C)(C)O.
What is the InChIKey of 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol?
The InChIKey is PNLNQQCUPWSAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-8-6-7-9(15-4)11(13)10(8)12(2,3)14/h6-7,13-14H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol?
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol has a molecular weight of 210.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol is sourced from PubChem (CID 84677805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).