4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol

C26H24N2O2 — CID 3694961

IUPAC4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)ccc1O
InChIInChI=1S/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-22(29)23(14-17)30-3)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3
InChIKeyGXZXADANKQZZEF-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.16
Rot. Bonds4

About 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol

4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol (PubChem CID 3694961) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol
PubChem CID3694961
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)ccc1O
InChIInChI=1S/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-22(29)23(14-17)30-3)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3
InChIKeyGXZXADANKQZZEF-UHFFFAOYSA-N
XLogP6.16
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 5318825
2-Methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}phenol
CID 135508121
Cra_10433
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CID 641764
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CID 445849
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indol-2-one
CID 10172394
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{[5-methyl-3-(propan-2-yl)-1H-pyrrol-2-yl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 10126538
2-Methoxy-5-[1-(2-methylquinolin-4-yl)ethenyl]phenol
CID 137660123
3,4-Dimethoxybenzyl-1,2,3,4-tetrahydro-beta-carboline
CID 517898
6W6Aeg3W3E
CID 9929424

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol (CID 3694961) is 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol is COc1cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)ccc1O.
What is the InChIKey of 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol?
The InChIKey is GXZXADANKQZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-15-24(18-8-4-6-10-20(18)27-15)26(17-12-13-22(29)23(14-17)30-3)25-16(2)28-21-11-7-5-9-19(21)25/h4-14,26-29H,1-3H3.
What are the key properties of 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol?
4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol has a molecular weight of 396.49 g/mol, XLogP of 6.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methyl-1H-indol-3-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 3694961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).