5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol

C30H25NO6 — CID 23539231

IUPAC5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc3ccccc3n2)c(O)c1
InChIInChI=1S/C30H25NO6/c1-35-27-16-23(18-8-12-22(32)13-9-18)30(36-2)29(34)28(27)20-10-14-26(25(33)15-20)37-17-21-11-7-19-5-3-4-6-24(19)31-21/h3-16,32-34H,17H2,1-2H3
InChIKeyKBBJSQSTQMMVQP-UHFFFAOYSA-N
MW495.53 g/mol
LogP6.28
Rot. Bonds7

About 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol

5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol (PubChem CID 23539231) has the molecular formula C30H25NO6 and a molecular weight of 495.53 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
PubChem CID23539231
Molecular FormulaC30H25NO6
Molecular Weight495.53 g/mol
Exact Mass495.17
IUPAC Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc3ccccc3n2)c(O)c1
InChIInChI=1S/C30H25NO6/c1-35-27-16-23(18-8-12-22(32)13-9-18)30(36-2)29(34)28(27)20-10-14-26(25(33)15-20)37-17-21-11-7-19-5-3-4-6-24(19)31-21/h3-16,32-34H,17H2,1-2H3
InChIKeyKBBJSQSTQMMVQP-UHFFFAOYSA-N
XLogP6.28
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The IUPAC name of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol (CID 23539231) is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2ccc3ccccc3n2)c(O)c1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The InChIKey is KBBJSQSTQMMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO6/c1-35-27-16-23(18-8-12-22(32)13-9-18)30(36-2)29(34)28(27)20-10-14-26(25(33)15-20)37-17-21-11-7-19-5-3-4-6-24(19)31-21/h3-16,32-34H,17H2,1-2H3.
What are the key properties of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol has a molecular weight of 495.53 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 23539231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).