[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol

C22H22N2O4 — CID 53469636

IUPAC[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-17-10-14(11-18(27-2)22(17)28-3)21(25)19-15-6-4-5-7-16(15)24-20(19)13-8-9-23-12-13/h4-12,21,23-25H,1-3H3
InChIKeyYIDKQFGMXKRFAQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.27
Rot. Bonds6

About [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol

[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 53469636) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID53469636
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-17-10-14(11-18(27-2)22(17)28-3)21(25)19-15-6-4-5-7-16(15)24-20(19)13-8-9-23-12-13/h4-12,21,23-25H,1-3H3
InChIKeyYIDKQFGMXKRFAQ-UHFFFAOYSA-N
XLogP4.27
TPSA79.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol (CID 53469636) is [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is YIDKQFGMXKRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-17-10-14(11-18(27-2)22(17)28-3)21(25)19-15-6-4-5-7-16(15)24-20(19)13-8-9-23-12-13/h4-12,21,23-25H,1-3H3.
What are the key properties of [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol?
[2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 378.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrrol-3-yl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 53469636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).