4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol

C25H35NO6 — CID 24834697

IUPAC4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
SMILESCOc1cc(OC)c(C(O)CCc2ccc(O)cc2)c(OCCN2CCCCC2)c1OC
InChIInChI=1S/C25H35NO6/c1-29-21-17-22(30-2)24(31-3)25(32-16-15-26-13-5-4-6-14-26)23(21)20(28)12-9-18-7-10-19(27)11-8-18/h7-8,10-11,17,20,27-28H,4-6,9,12-16H2,1-3H3
InChIKeyCPHOKSZEIIFVTL-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.95
Rot. Bonds11

About 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol

4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol (PubChem CID 24834697) has the molecular formula C25H35NO6 and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
PubChem CID24834697
Molecular FormulaC25H35NO6
Molecular Weight445.56 g/mol
Exact Mass445.25
IUPAC Name4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol
SMILESCOc1cc(OC)c(C(O)CCc2ccc(O)cc2)c(OCCN2CCCCC2)c1OC
InChIInChI=1S/C25H35NO6/c1-29-21-17-22(30-2)24(31-3)25(32-16-15-26-13-5-4-6-14-26)23(21)20(28)12-9-18-7-10-19(27)11-8-18/h7-8,10-11,17,20,27-28H,4-6,9,12-16H2,1-3H3
InChIKeyCPHOKSZEIIFVTL-UHFFFAOYSA-N
XLogP3.95
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]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

4-[3-[2,5-dimethoxy-3-nitro-6-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxypropyl]phenol
CID 13337420
4-[(1S)-1-hydroxy-3-(4-hydroxyphenyl)propyl]-5-methoxybenzene-1,3-diol
CID 70861199
2-[3-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxycyclopenta[c]pyran-1-yl]-3-hydroxypropyl]phenol
CID 71437591
1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
CID 148956256
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
3-chloro-5-methoxy-4-(2-piperidin-1-ylethoxy)benzenecarbothioamide
CID 22687308
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
CID 173255910
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60905299
4-[(E)-1-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol
CID 155813769

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol?
The IUPAC name of 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol (CID 24834697) is 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol.
What is the SMILES notation for 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol?
The canonical SMILES for 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol is COc1cc(OC)c(C(O)CCc2ccc(O)cc2)c(OCCN2CCCCC2)c1OC.
What is the InChIKey of 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol?
The InChIKey is CPHOKSZEIIFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO6/c1-29-21-17-22(30-2)24(31-3)25(32-16-15-26-13-5-4-6-14-26)23(21)20(28)12-9-18-7-10-19(27)11-8-18/h7-8,10-11,17,20,27-28H,4-6,9,12-16H2,1-3H3.
What are the key properties of 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol?
4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol has a molecular weight of 445.56 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-[3,4,6-trimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]propyl]phenol is sourced from PubChem (CID 24834697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).