4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol

C19H25NO3 — CID 67709953

IUPAC4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol
SMILESCC(C)(c1ccc(O)cc1)C(Cc1ccc(O)cc1)NCCO
InChIInChI=1S/C19H25NO3/c1-19(2,15-5-9-17(23)10-6-15)18(20-11-12-21)13-14-3-7-16(22)8-4-14/h3-10,18,20-23H,11-13H2,1-2H3
InChIKeyDDASKKQNLYIDDD-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.57
Rot. Bonds7

About 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol

4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol (PubChem CID 67709953) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol
PubChem CID67709953
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol
SMILESCC(C)(c1ccc(O)cc1)C(Cc1ccc(O)cc1)NCCO
InChIInChI=1S/C19H25NO3/c1-19(2,15-5-9-17(23)10-6-15)18(20-11-12-21)13-14-3-7-16(22)8-4-14/h3-10,18,20-23H,11-13H2,1-2H3
InChIKeyDDASKKQNLYIDDD-UHFFFAOYSA-N
XLogP2.57
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol?
The IUPAC name of 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol (CID 67709953) is 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol.
What is the SMILES notation for 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol?
The canonical SMILES for 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol is CC(C)(c1ccc(O)cc1)C(Cc1ccc(O)cc1)NCCO.
What is the InChIKey of 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol?
The InChIKey is DDASKKQNLYIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-19(2,15-5-9-17(23)10-6-15)18(20-11-12-21)13-14-3-7-16(22)8-4-14/h3-10,18,20-23H,11-13H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol?
4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol has a molecular weight of 315.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethylamino)-3-(4-hydroxyphenyl)-3-methylbutyl]phenol is sourced from PubChem (CID 67709953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).