2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol

C32H34O8 — CID 141133714

IUPAC2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
SMILESCOc1cc(C(C)(c2ccc(O)c(OC)c2)C(C)(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C32H34O8/c1-31(19-7-11-23(33)27(15-19)37-3,20-8-12-24(34)28(16-20)38-4)32(2,21-9-13-25(35)29(17-21)39-5)22-10-14-26(36)30(18-22)40-6/h7-18,33-36H,1-6H3
InChIKeyBADOBLGRPRVRIO-UHFFFAOYSA-N
MW546.62 g/mol
LogP5.86
Rot. Bonds9

About 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol

2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol (PubChem CID 141133714) has the molecular formula C32H34O8 and a molecular weight of 546.62 g/mol. Its IUPAC name is 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
PubChem CID141133714
Molecular FormulaC32H34O8
Molecular Weight546.62 g/mol
Exact Mass546.23
IUPAC Name2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
SMILESCOc1cc(C(C)(c2ccc(O)c(OC)c2)C(C)(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C32H34O8/c1-31(19-7-11-23(33)27(15-19)37-3,20-8-12-24(34)28(16-20)38-4)32(2,21-9-13-25(35)29(17-21)39-5)22-10-14-26(36)30(18-22)40-6/h7-18,33-36H,1-6H3
InChIKeyBADOBLGRPRVRIO-UHFFFAOYSA-N
XLogP5.86
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
CID 118523796
2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
CID 58389383
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
2,2-bis(4-hydroxy-3-methoxyphenyl)-3-oxobutanal;hydron
CID 174695330
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992391
2-methoxy-4-(2-methyl-1-piperazin-1-ylpropan-2-yl)phenol
CID 116987599
N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane
CID 162053844
4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
CID 12990064
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol (CID 141133714) is 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol is COc1cc(C(C)(c2ccc(O)c(OC)c2)C(C)(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol?
The InChIKey is BADOBLGRPRVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O8/c1-31(19-7-11-23(33)27(15-19)37-3,20-8-12-24(34)28(16-20)38-4)32(2,21-9-13-25(35)29(17-21)39-5)22-10-14-26(36)30(18-22)40-6/h7-18,33-36H,1-6H3.
What are the key properties of 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol?
2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol has a molecular weight of 546.62 g/mol, XLogP of 5.86, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol is sourced from PubChem (CID 141133714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).