4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol

C24H26O6 — CID 162862647

IUPAC4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
SMILESCOc1cccc([C@@H](c2ccc(O)c(OC)c2)[C@H](CO)c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H26O6/c1-28-18-6-4-5-16(11-18)24(17-8-10-21(27)23(13-17)30-3)19(14-25)15-7-9-20(26)22(12-15)29-2/h4-13,19,24-27H,14H2,1-3H3/t19-,24+/m1/s1
InChIKeyJCCPWOFLCPSRGA-DVECYGJZSA-N
MW410.47 g/mol
LogP4.03
Rot. Bonds8

About 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol

4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol (PubChem CID 162862647) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
PubChem CID162862647
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
SMILESCOc1cccc([C@@H](c2ccc(O)c(OC)c2)[C@H](CO)c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C24H26O6/c1-28-18-6-4-5-16(11-18)24(17-8-10-21(27)23(13-17)30-3)19(14-25)15-7-9-20(26)22(12-15)29-2/h4-13,19,24-27H,14H2,1-3H3/t19-,24+/m1/s1
InChIKeyJCCPWOFLCPSRGA-DVECYGJZSA-N
XLogP4.03
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol with MolForge

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Related Compounds

(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
4-[3-amino-2-(3-methoxyphenyl)propyl]-2-methoxyphenol
CID 83972582
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(2R,3S)-4-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 118710431
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
CID 118710429

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol (CID 162862647) is 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol is COc1cccc([C@@H](c2ccc(O)c(OC)c2)[C@H](CO)c2ccc(O)c(OC)c2)c1.
What is the InChIKey of 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol?
The InChIKey is JCCPWOFLCPSRGA-DVECYGJZSA-N. The full InChI is InChI=1S/C24H26O6/c1-28-18-6-4-5-16(11-18)24(17-8-10-21(27)23(13-17)30-3)19(14-25)15-7-9-20(26)22(12-15)29-2/h4-13,19,24-27H,14H2,1-3H3/t19-,24+/m1/s1.
What are the key properties of 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol?
4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol has a molecular weight of 410.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 162862647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).