4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol

C21H29NO3 — CID 56625182

IUPAC4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol
SMILESCCCN(CCC)CC(O)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-3-12-22(13-4-2)15-20(24)18-10-11-19(23)21(14-18)25-16-17-8-6-5-7-9-17/h5-11,14,20,23-24H,3-4,12-13,15-16H2,1-2H3
InChIKeyLMMCIPXJFJZCBU-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.13
Rot. Bonds10

About 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol

4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol (PubChem CID 56625182) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol
PubChem CID56625182
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol
SMILESCCCN(CCC)CC(O)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C21H29NO3/c1-3-12-22(13-4-2)15-20(24)18-10-11-19(23)21(14-18)25-16-17-8-6-5-7-9-17/h5-11,14,20,23-24H,3-4,12-13,15-16H2,1-2H3
InChIKeyLMMCIPXJFJZCBU-UHFFFAOYSA-N
XLogP4.13
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
3-amino-3-(4-hydroxy-3-phenylmethoxyphenyl)propanoic acid
CID 117463513
3-chloro-1-(4-hydroxy-3-phenylmethoxyphenyl)propane-1,2-diol
CID 171863217
benzyl N-[(2R)-2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]-N-methylcarbamate;4-[(1S)-1-hydroxybutyl]benzene-1,2-diol
CID 161315698
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol?
The IUPAC name of 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol (CID 56625182) is 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol.
What is the SMILES notation for 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol?
The canonical SMILES for 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol is CCCN(CCC)CC(O)c1ccc(O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol?
The InChIKey is LMMCIPXJFJZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-3-12-22(13-4-2)15-20(24)18-10-11-19(23)21(14-18)25-16-17-8-6-5-7-9-17/h5-11,14,20,23-24H,3-4,12-13,15-16H2,1-2H3.
What are the key properties of 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol?
4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol has a molecular weight of 343.47 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol is sourced from PubChem (CID 56625182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).