(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H17NO5 — CID 10449104

IUPAC(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(O)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-19-14-8-11(20)4-5-12(13)14/h4-9,19-20H,1-3H3
InChIKeyFWYFKYJHENUGSZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.13
Rot. Bonds5

About (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10449104) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10449104
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(O)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-19-14-8-11(20)4-5-12(13)14/h4-9,19-20H,1-3H3
InChIKeyFWYFKYJHENUGSZ-UHFFFAOYSA-N
XLogP3.13
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10449104) is (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c[nH]c3cc(O)ccc23)cc(OC)c1OC.
What is the InChIKey of (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FWYFKYJHENUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-19-14-8-11(20)4-5-12(13)14/h4-9,19-20H,1-3H3.
What are the key properties of (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 327.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).