(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

C24H23NO2 — CID 53394445

IUPAC(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24(25)27)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15,27H,2-3,8,16H2,1H3
InChIKeyLSYJCVSGIQLLKF-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.92
Rot. Bonds6

About (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 53394445) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID53394445
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24(25)27)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15,27H,2-3,8,16H2,1H3
InChIKeyLSYJCVSGIQLLKF-UHFFFAOYSA-N
XLogP5.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (CID 53394445) is (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is CCCCCn1c(O)c(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is LSYJCVSGIQLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24(25)27)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15,27H,2-3,8,16H2,1H3.
What are the key properties of (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
(2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 357.45 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 53394445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).