2-ethyl-5-propan-2-ylphenol

C11H16O — CID 45096246

IUPAC2-ethyl-5-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)cc1O
InChIInChI=1S/C11H16O/c1-4-9-5-6-10(8(2)3)7-11(9)12/h5-8,12H,4H2,1-3H3
InChIKeyNTPXZONRQTVIEQ-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.08
Rot. Bonds2

About 2-ethyl-5-propan-2-ylphenol

2-ethyl-5-propan-2-ylphenol (PubChem CID 45096246) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-ethyl-5-propan-2-ylphenol
PubChem CID45096246
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-ethyl-5-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)cc1O
InChIInChI=1S/C11H16O/c1-4-9-5-6-10(8(2)3)7-11(9)12/h5-8,12H,4H2,1-3H3
InChIKeyNTPXZONRQTVIEQ-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
CID 166781432
4-ethylbenzene-1,3-diol
CID 17927
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
2-chloro-5-propan-2-ylphenol
CID 59596487
ethane;2-ethyl-5-methylphenol
CID 142001660
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
CID 18457008
(2-ethyl-4-propan-2-ylphenyl) ethaneperoxoate
CID 91196690
2-[4-(bromomethyl)-3-hydroxyphenyl]propanal
CID 134639958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-ylphenol?
The IUPAC name of 2-ethyl-5-propan-2-ylphenol (CID 45096246) is 2-ethyl-5-propan-2-ylphenol.
What is the SMILES notation for 2-ethyl-5-propan-2-ylphenol?
The canonical SMILES for 2-ethyl-5-propan-2-ylphenol is CCc1ccc(C(C)C)cc1O.
What is the InChIKey of 2-ethyl-5-propan-2-ylphenol?
The InChIKey is NTPXZONRQTVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-9-5-6-10(8(2)3)7-11(9)12/h5-8,12H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-ylphenol?
2-ethyl-5-propan-2-ylphenol has a molecular weight of 164.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-ylphenol is sourced from PubChem (CID 45096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).