2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

C21H21NO5 — CID 10915556

IUPAC2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2cccnc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C21H21NO5/c1-24-17-8-7-13(10-16(17)23)15-6-5-9-22-20(15)14-11-18(25-2)21(27-4)19(12-14)26-3/h5-12,23H,1-4H3
InChIKeyLHOGRUJWGHYBHY-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.16
Rot. Bonds6

About 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (PubChem CID 10915556) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
PubChem CID10915556
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2cccnc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C21H21NO5/c1-24-17-8-7-13(10-16(17)23)15-6-5-9-22-20(15)14-11-18(25-2)21(27-4)19(12-14)26-3/h5-12,23H,1-4H3
InChIKeyLHOGRUJWGHYBHY-UHFFFAOYSA-N
XLogP4.16
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (CID 10915556) is 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is COc1ccc(-c2cccnc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The InChIKey is LHOGRUJWGHYBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-17-8-7-13(10-16(17)23)15-6-5-9-22-20(15)14-11-18(25-2)21(27-4)19(12-14)26-3/h5-12,23H,1-4H3.
What are the key properties of 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol has a molecular weight of 367.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 10915556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).