2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol

C30H33NO6 — CID 127043045

IUPAC2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol
SMILESCOc1ccc(Cn2c(C)c(C)c(-c3cc(OC)c(OC)c(OC)c3)c2-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C30H33NO6/c1-18-19(2)31(17-20-8-11-23(33-3)12-9-20)29(21-10-13-25(34-4)24(32)14-21)28(18)22-15-26(35-5)30(37-7)27(16-22)36-6/h8-16,32H,17H2,1-7H3
InChIKeyVVCODZCCZNDTQP-UHFFFAOYSA-N
MW503.60 g/mol
LogP6.24
Rot. Bonds9

About 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol

2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol (PubChem CID 127043045) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol
PubChem CID127043045
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC Name2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol
SMILESCOc1ccc(Cn2c(C)c(C)c(-c3cc(OC)c(OC)c(OC)c3)c2-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C30H33NO6/c1-18-19(2)31(17-20-8-11-23(33-3)12-9-20)29(21-10-13-25(34-4)24(32)14-21)28(18)22-15-26(35-5)30(37-7)27(16-22)36-6/h8-16,32H,17H2,1-7H3
InChIKeyVVCODZCCZNDTQP-UHFFFAOYSA-N
XLogP6.24
TPSA71.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol (CID 127043045) is 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol is COc1ccc(Cn2c(C)c(C)c(-c3cc(OC)c(OC)c(OC)c3)c2-c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol?
The InChIKey is VVCODZCCZNDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO6/c1-18-19(2)31(17-20-8-11-23(33-3)12-9-20)29(21-10-13-25(34-4)24(32)14-21)28(18)22-15-26(35-5)30(37-7)27(16-22)36-6/h8-16,32H,17H2,1-7H3.
What are the key properties of 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol?
2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol has a molecular weight of 503.60 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)pyrrol-2-yl]phenol is sourced from PubChem (CID 127043045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).