2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol

C23H30O7 — CID 162887824

IUPAC2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol
SMILESCOc1cc(-c2c(C3OC(OC)C(C)C3C)cc(OC)c(OC)c2OC)ccc1O
InChIInChI=1S/C23H30O7/c1-12-13(2)23(29-7)30-20(12)15-11-18(26-4)21(27-5)22(28-6)19(15)14-8-9-16(24)17(10-14)25-3/h8-13,20,23-24H,1-7H3
InChIKeyIHPLSJOJWOIKLE-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.41
Rot. Bonds7

About 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol

2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol (PubChem CID 162887824) has the molecular formula C23H30O7 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol
PubChem CID162887824
Molecular FormulaC23H30O7
Molecular Weight418.49 g/mol
Exact Mass418.20
IUPAC Name2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol
SMILESCOc1cc(-c2c(C3OC(OC)C(C)C3C)cc(OC)c(OC)c2OC)ccc1O
InChIInChI=1S/C23H30O7/c1-12-13(2)23(29-7)30-20(12)15-11-18(26-4)21(27-5)22(28-6)19(15)14-8-9-16(24)17(10-14)25-3/h8-13,20,23-24H,1-7H3
InChIKeyIHPLSJOJWOIKLE-UHFFFAOYSA-N
XLogP4.41
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-4-[2,3,4-trimethoxy-6-[(2R,3R,4R,5R)-5-methoxy-3,4-dimethyloxolan-2-yl]phenyl]phenol
CID 162887825
(1R,17R,18R,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98394392
(1R,17R,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.02,10.04,8.011,16]icosa-2,4(8),9,11,13,15-hexaene
CID 98263767
(3R,4R)-5-[2-(1,3-benzodioxol-5-yl)-3,4,5-trimethoxyphenyl]-3,4-dimethyloxolan-2-one
CID 102136261
4-[6-[(2R,3R,4R,5R)-3,4-dimethyl-5-(1-oxa-3-azaspiro[4.5]dec-2-en-8-yloxy)oxolan-2-yl]-4-methoxy-1,3-benzodioxol-5-yl]-2,6-dimethoxyphenol
CID 102344275
4-[(2S,3S,4R,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
CID 163003103
(1R,15R,18S)-4,5,6,9,10-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaen-11-ol
CID 162928828
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
2-methoxy-4-[2-(methoxymethyl)naphthalen-1-yl]phenol
CID 172890355

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol?
The IUPAC name of 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol (CID 162887824) is 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol?
The canonical SMILES for 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol is COc1cc(-c2c(C3OC(OC)C(C)C3C)cc(OC)c(OC)c2OC)ccc1O.
What is the InChIKey of 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol?
The InChIKey is IHPLSJOJWOIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O7/c1-12-13(2)23(29-7)30-20(12)15-11-18(26-4)21(27-5)22(28-6)19(15)14-8-9-16(24)17(10-14)25-3/h8-13,20,23-24H,1-7H3.
What are the key properties of 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol?
2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol has a molecular weight of 418.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2,3,4-trimethoxy-6-(5-methoxy-3,4-dimethyloxolan-2-yl)phenyl]phenol is sourced from PubChem (CID 162887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).