5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol

C32H34O6 — CID 23538718

IUPAC5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol
SMILESCCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1
InChIInChI=1S/C32H34O6/c1-5-6-18-37-32-30(24-14-17-28(27(33)19-24)38-21-22-10-8-7-9-11-22)29(35-3)20-26(31(32)36-4)23-12-15-25(34-2)16-13-23/h7-17,19-20,33H,5-6,18,21H2,1-4H3
InChIKeyVBFNIWVJMXCIQL-UHFFFAOYSA-N
MW514.62 g/mol
LogP7.51
Rot. Bonds12

About 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol

5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol (PubChem CID 23538718) has the molecular formula C32H34O6 and a molecular weight of 514.62 g/mol. Its IUPAC name is 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol
PubChem CID23538718
Molecular FormulaC32H34O6
Molecular Weight514.62 g/mol
Exact Mass514.24
IUPAC Name5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol
SMILESCCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1
InChIInChI=1S/C32H34O6/c1-5-6-18-37-32-30(24-14-17-28(27(33)19-24)38-21-22-10-8-7-9-11-22)29(35-3)20-26(31(32)36-4)23-12-15-25(34-2)16-13-23/h7-17,19-20,33H,5-6,18,21H2,1-4H3
InChIKeyVBFNIWVJMXCIQL-UHFFFAOYSA-N
XLogP7.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23538420
[4-[2,5-dimethoxy-3-(methoxymethoxy)-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[4-[2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)-3-propoxyphenyl]phenyl] methanesulfonate;[4-[3-hydroxy-2,5-dimethoxy-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-(methoxymethoxy)phenyl]-2-phenylmethoxyphenol;5-[4-(4-hydroxyphenyl)-3,6-dimethoxy-2-propoxyphenyl]-2-phenylmethoxyphenol;[4-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-(methoxymethoxy)phenyl]phenyl] methanesulfonate
CID 162002661
[4-[3-amino-4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate
CID 23539095
[2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-propan-2-ylphenyl)phenyl] methanesulfonate
CID 23538765
2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-nitrophenyl)phenol
CID 23538576
5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate;5-[3,6-dimethoxy-4-(4-methoxyphenyl)-2-propoxyphenyl]-2-phenylmethoxyphenol;5-[2-(2-hydroxyethyl)-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol;4-[3-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]benzoic acid;4-[3-hydroxy-4-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-2,5-dimethoxyphenyl]benzoic acid
CID 162262220
2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol
CID 23539246
5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxyphenol
CID 23539254
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(pyridin-4-ylmethoxy)phenyl]-3,6-dimethoxyphenol
CID 23539239
methyl 2-[4-(3-hydroxy-4-phenylmethoxyphenyl)-2,5-dimethoxy-3-methylsulfonyloxyphenyl]benzoate
CID 23539338
5-(4-hydroxy-3,5-dimethylphenyl)-2-[3-hydroxy-4-[(4-methylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol
CID 23539221
[5-[4-[4-(hydroxymethyl)phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-phenylmethoxyphenyl] methanesulfonate
CID 23539004

Frequently Asked Questions

What is the IUPAC name of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol?
The IUPAC name of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol (CID 23538718) is 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol.
What is the SMILES notation for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol?
The canonical SMILES for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol is CCCCOc1c(OC)c(-c2ccc(OC)cc2)cc(OC)c1-c1ccc(OCc2ccccc2)c(O)c1.
What is the InChIKey of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol?
The InChIKey is VBFNIWVJMXCIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O6/c1-5-6-18-37-32-30(24-14-17-28(27(33)19-24)38-21-22-10-8-7-9-11-22)29(35-3)20-26(31(32)36-4)23-12-15-25(34-2)16-13-23/h7-17,19-20,33H,5-6,18,21H2,1-4H3.
What are the key properties of 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol?
5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol has a molecular weight of 514.62 g/mol, XLogP of 7.51, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenol is sourced from PubChem (CID 23538718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).