(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone

C21H21NO3 — CID 44815283

IUPAC(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1ccc(OC2CCCCC2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C21H21NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h6-13,17,22-23H,1-5H2
InChIKeyAJABMTRCMOGZEF-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.82
Rot. Bonds4

About (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone

(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone (PubChem CID 44815283) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone
PubChem CID44815283
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone
SMILESO=C(c1ccc(OC2CCCCC2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C21H21NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h6-13,17,22-23H,1-5H2
InChIKeyAJABMTRCMOGZEF-UHFFFAOYSA-N
XLogP4.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone (CID 44815283) is (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone is O=C(c1ccc(OC2CCCCC2)cc1)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is AJABMTRCMOGZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-16-8-11-19-15(12-16)13-20(22-19)21(24)14-6-9-18(10-7-14)25-17-4-2-1-3-5-17/h6-13,17,22-23H,1-5H2.
What are the key properties of (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone?
(4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyloxyphenyl)-(5-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 44815283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).