2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid

C26H25NO3 — CID 3386582

IUPAC2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C26H25NO3/c28-25(29)16-23-22-15-19(30-18-9-2-1-3-10-18)13-14-24(22)27-26(23)21-12-6-8-17-7-4-5-11-20(17)21/h4-8,11-15,18,27H,1-3,9-10,16H2,(H,28,29)
InChIKeyIJHCLHNOOKLAGX-UHFFFAOYSA-N
MW399.49 g/mol
LogP6.33
Rot. Bonds5

About 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid

2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid (PubChem CID 3386582) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
PubChem CID3386582
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C26H25NO3/c28-25(29)16-23-22-15-19(30-18-9-2-1-3-10-18)13-14-24(22)27-26(23)21-12-6-8-17-7-4-5-11-20(17)21/h4-8,11-15,18,27H,1-3,9-10,16H2,(H,28,29)
InChIKeyIJHCLHNOOKLAGX-UHFFFAOYSA-N
XLogP6.33
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid (CID 3386582) is 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid is O=C(O)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(OC3CCCCC3)cc12.
What is the InChIKey of 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid?
The InChIKey is IJHCLHNOOKLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c28-25(29)16-23-22-15-19(30-18-9-2-1-3-10-18)13-14-24(22)27-26(23)21-12-6-8-17-7-4-5-11-20(17)21/h4-8,11-15,18,27H,1-3,9-10,16H2,(H,28,29).
What are the key properties of 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid?
2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid has a molecular weight of 399.49 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyloxy-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 3386582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).