2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one

C34H33NO4 — CID 10625774

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one
SMILESCOc1ccc(C2(Cc3ccncc3)Cc3cc(OCc4ccccc4)ccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C34H33NO4/c1-37-31-14-11-27(20-32(31)39-28-9-5-6-10-28)34(21-24-15-17-35-18-16-24)22-26-19-29(12-13-30(26)33(34)36)38-23-25-7-3-2-4-8-25/h2-4,7-8,11-20,28H,5-6,9-10,21-23H2,1H3
InChIKeyQBJZJLGONNMMNS-UHFFFAOYSA-N
MW519.64 g/mol
LogP6.91
Rot. Bonds9

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one (PubChem CID 10625774) has the molecular formula C34H33NO4 and a molecular weight of 519.64 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one
PubChem CID10625774
Molecular FormulaC34H33NO4
Molecular Weight519.64 g/mol
Exact Mass519.24
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one
SMILESCOc1ccc(C2(Cc3ccncc3)Cc3cc(OCc4ccccc4)ccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C34H33NO4/c1-37-31-14-11-27(20-32(31)39-28-9-5-6-10-28)34(21-24-15-17-35-18-16-24)22-26-19-29(12-13-30(26)33(34)36)38-23-25-7-3-2-4-8-25/h2-4,7-8,11-20,28H,5-6,9-10,21-23H2,1H3
InChIKeyQBJZJLGONNMMNS-UHFFFAOYSA-N
XLogP6.91
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.64
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2E)-5-Methoxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11b)
CID 122172776
2-[(1-Benzyl-3-bromopyridin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide
CID 118557808
(2E)-2-[[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-5,6-dimethoxy-3H-inden-1-one bromide
CID 137651178
ST51003480
CID 5336233
2-(3-Cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)indene-1,3-dione
CID 9850007
AS2QT83Y3Z
CID 10112210
1-Benzyl-4-(5,6-dimethoxy-1-oxoindan-2-YL)methylpyridinium bromide
CID 10204472
2-(3-Cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-2-(pyridin-4-ylmethyl)indene-1,3-dione
CID 10551233
2-(3-Cyclopentyloxy-4-methoxyphenyl)-5-ethoxy-2-(pyridin-4-ylmethyl)indene-1,3-dione
CID 10648088
2-(3-Cyclopentyloxy-4-methoxyphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indene-1,3-dione
CID 10718103
4-[[2-(3-Cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine
CID 10739717
2-(3-Cyclopentyloxy-4-methoxyphenyl)-2-(pyridin-4-ylmethyl)indene-1,3-dione
CID 10741142

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one (CID 10625774) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one is COc1ccc(C2(Cc3ccncc3)Cc3cc(OCc4ccccc4)ccc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one?
The InChIKey is QBJZJLGONNMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO4/c1-37-31-14-11-27(20-32(31)39-28-9-5-6-10-28)34(21-24-15-17-35-18-16-24)22-26-19-29(12-13-30(26)33(34)36)38-23-25-7-3-2-4-8-25/h2-4,7-8,11-20,28H,5-6,9-10,21-23H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one has a molecular weight of 519.64 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-phenylmethoxy-2-(pyridin-4-ylmethyl)-3H-inden-1-one is sourced from PubChem (CID 10625774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).