2-ethyl-6-(1-hydroxypropan-2-yl)phenol

C11H16O2 — CID 117278483

IUPAC2-ethyl-6-(1-hydroxypropan-2-yl)phenol
SMILESCCc1cccc(C(C)CO)c1O
InChIInChI=1S/C11H16O2/c1-3-9-5-4-6-10(11(9)13)8(2)7-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyTYISGHPAMRMQKU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds3

About 2-ethyl-6-(1-hydroxypropan-2-yl)phenol

2-ethyl-6-(1-hydroxypropan-2-yl)phenol (PubChem CID 117278483) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethyl-6-(1-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-ethyl-6-(1-hydroxypropan-2-yl)phenol
PubChem CID117278483
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-ethyl-6-(1-hydroxypropan-2-yl)phenol
SMILESCCc1cccc(C(C)CO)c1O
InChIInChI=1S/C11H16O2/c1-3-9-5-4-6-10(11(9)13)8(2)7-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKeyTYISGHPAMRMQKU-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-ethylphenol
CID 171253883
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
2-ethyl-6-(1-piperazin-1-ylethyl)phenol
CID 83896226
2-(2-aminopropyl)-6-ethylphenol
CID 83875214

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-ethyl-6-(1-hydroxypropan-2-yl)phenol (CID 117278483) is 2-ethyl-6-(1-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-ethyl-6-(1-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-ethyl-6-(1-hydroxypropan-2-yl)phenol is CCc1cccc(C(C)CO)c1O.
What is the InChIKey of 2-ethyl-6-(1-hydroxypropan-2-yl)phenol?
The InChIKey is TYISGHPAMRMQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9-5-4-6-10(11(9)13)8(2)7-12/h4-6,8,12-13H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-6-(1-hydroxypropan-2-yl)phenol?
2-ethyl-6-(1-hydroxypropan-2-yl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 117278483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).