4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol

C25H29NO5 — CID 67638479

IUPAC4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol
SMILESCOc1ccc(C(Cc2ccccc2)C(N)C(O)COc2ccc(O)cc2)cc1OC
InChIInChI=1S/C25H29NO5/c1-29-23-13-8-18(15-24(23)30-2)21(14-17-6-4-3-5-7-17)25(26)22(28)16-31-20-11-9-19(27)10-12-20/h3-13,15,21-22,25,27-28H,14,16,26H2,1-2H3
InChIKeyUHKCLAYTDNKOER-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.50
Rot. Bonds10

About 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol

4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol (PubChem CID 67638479) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol.

Molecular Properties

Compound Name4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol
PubChem CID67638479
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol
SMILESCOc1ccc(C(Cc2ccccc2)C(N)C(O)COc2ccc(O)cc2)cc1OC
InChIInChI=1S/C25H29NO5/c1-29-23-13-8-18(15-24(23)30-2)21(14-17-6-4-3-5-7-17)25(26)22(28)16-31-20-11-9-19(27)10-12-20/h3-13,15,21-22,25,27-28H,14,16,26H2,1-2H3
InChIKeyUHKCLAYTDNKOER-UHFFFAOYSA-N
XLogP3.50
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
CID 171270282
(2S)-1-[[1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 22863117
[1-(3,4-dimethoxyphenyl)-2-phenoxyethyl]hydrazine
CID 105212929
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
4-[(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673264
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
4-[3-(3,4-dimethoxyphenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981837

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol?
The IUPAC name of 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol (CID 67638479) is 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol.
What is the SMILES notation for 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol?
The canonical SMILES for 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol is COc1ccc(C(Cc2ccccc2)C(N)C(O)COc2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol?
The InChIKey is UHKCLAYTDNKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-29-23-13-8-18(15-24(23)30-2)21(14-17-6-4-3-5-7-17)25(26)22(28)16-31-20-11-9-19(27)10-12-20/h3-13,15,21-22,25,27-28H,14,16,26H2,1-2H3.
What are the key properties of 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol?
4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol has a molecular weight of 423.51 g/mol, XLogP of 3.50, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(3,4-dimethoxyphenyl)-2-hydroxy-5-phenylpentoxy]phenol is sourced from PubChem (CID 67638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).