5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline

C27H29NO6 — CID 135346888

IUPAC5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline
SMILESCOc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O.c1ccc2ncccc2c1
InChIInChI=1S/C18H22O6.C9H7N/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3;1-2-6-9-8(4-1)5-3-7-10-9/h5-6,8-10,13,19-20H,7H2,1-4H3;1-7H/t13-;/m1./s1
InChIKeyCSDRNQTWRHIARH-BTQNPOSSSA-N
MW463.53 g/mol
LogP4.94
Rot. Bonds7

About 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline

5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline (PubChem CID 135346888) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline.

Molecular Properties

Compound Name5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline
PubChem CID135346888
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline
SMILESCOc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O.c1ccc2ncccc2c1
InChIInChI=1S/C18H22O6.C9H7N/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3;1-2-6-9-8(4-1)5-3-7-10-9/h5-6,8-10,13,19-20H,7H2,1-4H3;1-7H/t13-;/m1./s1
InChIKeyCSDRNQTWRHIARH-BTQNPOSSSA-N
XLogP4.94
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline?
The IUPAC name of 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline (CID 135346888) is 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline.
What is the SMILES notation for 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline?
The canonical SMILES for 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline is COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O.c1ccc2ncccc2c1.
What is the InChIKey of 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline?
The InChIKey is CSDRNQTWRHIARH-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H22O6.C9H7N/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3;1-2-6-9-8(4-1)5-3-7-10-9/h5-6,8-10,13,19-20H,7H2,1-4H3;1-7H/t13-;/m1./s1.
What are the key properties of 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline?
5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline has a molecular weight of 463.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol;quinoline is sourced from PubChem (CID 135346888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).