1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol

C26H30O6 — CID 24800824

IUPAC1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1c(C(O)c2ccc(Oc3ccccc3)cc2)cc(C(O)C(C)C)c(OC)c1OC
InChIInChI=1S/C26H30O6/c1-16(2)22(27)20-15-21(25(30-4)26(31-5)24(20)29-3)23(28)17-11-13-19(14-12-17)32-18-9-7-6-8-10-18/h6-16,22-23,27-28H,1-5H3
InChIKeyLCVOAUZIRAVUNZ-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.28
Rot. Bonds9

About 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol

1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol (PubChem CID 24800824) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
PubChem CID24800824
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1c(C(O)c2ccc(Oc3ccccc3)cc2)cc(C(O)C(C)C)c(OC)c1OC
InChIInChI=1S/C26H30O6/c1-16(2)22(27)20-15-21(25(30-4)26(31-5)24(20)29-3)23(28)17-11-13-19(14-12-17)32-18-9-7-6-8-10-18/h6-16,22-23,27-28H,1-5H3
InChIKeyLCVOAUZIRAVUNZ-UHFFFAOYSA-N
XLogP5.28
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenoxyphenyl)-(2,3,4-trimethoxy-5-propan-2-ylphenyl)methanol
CID 24800476
5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxybenzaldehyde
CID 24800651
1-[4-[4-(1-hydroxy-2-methylpropyl)phenoxy]phenyl]-2-methylpropan-1-ol
CID 70467453
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
4-amino-1-(4-phenoxyphenyl)butane-1,2-diol
CID 171882229
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110

Frequently Asked Questions

What is the IUPAC name of 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol (CID 24800824) is 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol is COc1c(C(O)c2ccc(Oc3ccccc3)cc2)cc(C(O)C(C)C)c(OC)c1OC.
What is the InChIKey of 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is LCVOAUZIRAVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-16(2)22(27)20-15-21(25(30-4)26(31-5)24(20)29-3)23(28)17-11-13-19(14-12-17)32-18-9-7-6-8-10-18/h6-16,22-23,27-28H,1-5H3.
What are the key properties of 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol?
1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 438.52 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[hydroxy-(4-phenoxyphenyl)methyl]-2,3,4-trimethoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 24800824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).