2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol

C19H32O2 — CID 22734661

IUPAC2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCc1cc(CCCO)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C19H32O2/c1-7-15-11-14(9-8-10-20)12-16(17(15)21)19(5,6)13-18(2,3)4/h11-12,20-21H,7-10,13H2,1-6H3
InChIKeyAIYAKNRUDFXPBW-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.59
Rot. Bonds6

About 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol

2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 22734661) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID22734661
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCc1cc(CCCO)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C19H32O2/c1-7-15-11-14(9-8-10-20)12-16(17(15)21)19(5,6)13-18(2,3)4/h11-12,20-21H,7-10,13H2,1-6H3
InChIKeyAIYAKNRUDFXPBW-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
CID 54207072
2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
CID 154329920
2,6-diethyl-4-pentylphenol
CID 66879488
4-[(1-hydroxypropylamino)methyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 57001664
4-[1-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22769774
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 58863008
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol (CID 22734661) is 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol is CCc1cc(CCCO)cc(C(C)(C)CC(C)(C)C)c1O.
What is the InChIKey of 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is AIYAKNRUDFXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-15-11-14(9-8-10-20)12-16(17(15)21)19(5,6)13-18(2,3)4/h11-12,20-21H,7-10,13H2,1-6H3.
What are the key properties of 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol?
2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 292.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-hydroxypropyl)-6-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 22734661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).