(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone

C29H29NO3 — CID 21442611

IUPAC(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone
SMILESO=C(C1=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc2C1)c1cccc(O)c1
InChIInChI=1S/C29H29NO3/c31-24-9-6-8-23(19-24)29(32)27-20-22-7-2-3-10-26(22)28(27)21-11-13-25(14-12-21)33-18-17-30-15-4-1-5-16-30/h2-3,6-14,19,31H,1,4-5,15-18,20H2
InChIKeyZELQDNYSRMGHAJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.50
Rot. Bonds7

About (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone

(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone (PubChem CID 21442611) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone
PubChem CID21442611
Molecular FormulaC29H29NO3
Molecular Weight439.56 g/mol
Exact Mass439.21
IUPAC Name(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone
SMILESO=C(C1=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc2C1)c1cccc(O)c1
InChIInChI=1S/C29H29NO3/c31-24-9-6-8-23(19-24)29(32)27-20-22-7-2-3-10-26(22)28(27)21-11-13-25(14-12-21)33-18-17-30-15-4-1-5-16-30/h2-3,6-14,19,31H,1,4-5,15-18,20H2
InChIKeyZELQDNYSRMGHAJ-UHFFFAOYSA-N
XLogP5.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[6-hydroxy-2-(4-hydroxyphenyl)-1-oxo-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67725962
[6-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 18182717
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]isoindole-1,3-dione
CID 168516681

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone (CID 21442611) is (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone is O=C(C1=C(c2ccc(OCCN3CCCCC3)cc2)c2ccccc2C1)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone?
The InChIKey is ZELQDNYSRMGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3/c31-24-9-6-8-23(19-24)29(32)27-20-22-7-2-3-10-26(22)28(27)21-11-13-25(14-12-21)33-18-17-30-15-4-1-5-16-30/h2-3,6-14,19,31H,1,4-5,15-18,20H2.
What are the key properties of (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone?
(3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone has a molecular weight of 439.56 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-inden-2-yl]methanone is sourced from PubChem (CID 21442611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).