4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol

C15H24O3 — CID 139528679

IUPAC4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCCC(O)(Cc1ccc(O)c(OC)c1)CC(C)C
InChIInChI=1S/C15H24O3/c1-5-15(17,9-11(2)3)10-12-6-7-13(16)14(8-12)18-4/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyPNCSPYFMHPARDR-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.13
Rot. Bonds6

About 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol

4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol (PubChem CID 139528679) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol
PubChem CID139528679
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol
SMILESCCC(O)(Cc1ccc(O)c(OC)c1)CC(C)C
InChIInChI=1S/C15H24O3/c1-5-15(17,9-11(2)3)10-12-6-7-13(16)14(8-12)18-4/h6-8,11,16-17H,5,9-10H2,1-4H3
InChIKeyPNCSPYFMHPARDR-UHFFFAOYSA-N
XLogP3.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
3-benzyl-5-methylhexan-3-ol
CID 79008448
ethane;2-methoxy-4-propylphenol
CID 144852330
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
4-(butan-2-yloxymethyl)-2-methoxyphenol
CID 11206597
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The IUPAC name of 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol (CID 139528679) is 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol is CCC(O)(Cc1ccc(O)c(OC)c1)CC(C)C.
What is the InChIKey of 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol?
The InChIKey is PNCSPYFMHPARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-15(17,9-11(2)3)10-12-6-7-13(16)14(8-12)18-4/h6-8,11,16-17H,5,9-10H2,1-4H3.
What are the key properties of 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol?
4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol has a molecular weight of 252.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol is sourced from PubChem (CID 139528679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).