2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol

C19H24O6 — CID 69132807

IUPAC2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol
SMILESCOc1ccc(C(CCO)c2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H24O6/c1-22-13-5-6-15(16(21)11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-6,9-11,14,20-21H,7-8H2,1-4H3
InChIKeyNMWDEIUGARPHKA-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.94
Rot. Bonds8

About 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol

2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol (PubChem CID 69132807) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol
PubChem CID69132807
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol
SMILESCOc1ccc(C(CCO)c2cc(OC)c(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H24O6/c1-22-13-5-6-15(16(21)11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-6,9-11,14,20-21H,7-8H2,1-4H3
InChIKeyNMWDEIUGARPHKA-UHFFFAOYSA-N
XLogP2.94
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
CID 66091719
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol?
The IUPAC name of 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol (CID 69132807) is 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol.
What is the SMILES notation for 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol?
The canonical SMILES for 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol is COc1ccc(C(CCO)c2cc(OC)c(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol?
The InChIKey is NMWDEIUGARPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-22-13-5-6-15(16(21)11-13)14(7-8-20)12-9-17(23-2)19(25-4)18(10-12)24-3/h5-6,9-11,14,20-21H,7-8H2,1-4H3.
What are the key properties of 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol?
2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol has a molecular weight of 348.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-(3,4,5-trimethoxyphenyl)propyl]-5-methoxyphenol is sourced from PubChem (CID 69132807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).