4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine

C27H29NO2 — CID 10739717

IUPAC4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine
SMILESCOc1ccc(C2(Cc3ccncc3)Cc3ccccc3C2)cc1OC1CCCC1
InChIInChI=1S/C27H29NO2/c1-29-25-11-10-23(16-26(25)30-24-8-4-5-9-24)27(17-20-12-14-28-15-13-20)18-21-6-2-3-7-22(21)19-27/h2-3,6-7,10-16,24H,4-5,8-9,17-19H2,1H3
InChIKeyFGLHMBUBJLAQPE-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.69
Rot. Bonds6

About 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine

4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine (PubChem CID 10739717) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine
PubChem CID10739717
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine
SMILESCOc1ccc(C2(Cc3ccncc3)Cc3ccccc3C2)cc1OC1CCCC1
InChIInChI=1S/C27H29NO2/c1-29-25-11-10-23(16-26(25)30-24-8-4-5-9-24)27(17-20-12-14-28-15-13-20)18-21-6-2-3-7-22(21)19-27/h2-3,6-7,10-16,24H,4-5,8-9,17-19H2,1H3
InChIKeyFGLHMBUBJLAQPE-UHFFFAOYSA-N
XLogP5.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine (CID 10739717) is 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine is COc1ccc(C2(Cc3ccncc3)Cc3ccccc3C2)cc1OC1CCCC1.
What is the InChIKey of 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine?
The InChIKey is FGLHMBUBJLAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-29-25-11-10-23(16-26(25)30-24-8-4-5-9-24)27(17-20-12-14-28-15-13-20)18-21-6-2-3-7-22(21)19-27/h2-3,6-7,10-16,24H,4-5,8-9,17-19H2,1H3.
What are the key properties of 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine?
4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine has a molecular weight of 399.53 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroinden-2-yl]methyl]pyridine is sourced from PubChem (CID 10739717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).