5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol

C21H13BrO — CID 176543435

IUPAC5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol
SMILESOC1=C=CC=C1c1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C21H13BrO/c22-19-12-4-7-14-6-3-11-18(21(14)19)16-9-2-1-8-15(16)17-10-5-13-20(17)23/h1-12,23H
InChIKeyUYOQTHBHMPUCII-UHFFFAOYSA-N
MW361.24 g/mol
LogP6.26
Rot. Bonds2

About 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol

5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol (PubChem CID 176543435) has the molecular formula C21H13BrO and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol.

Molecular Properties

Compound Name5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol
PubChem CID176543435
Molecular FormulaC21H13BrO
Molecular Weight361.24 g/mol
Exact Mass360.01
IUPAC Name5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol
SMILESOC1=C=CC=C1c1ccccc1-c1cccc2cccc(Br)c12
InChIInChI=1S/C21H13BrO/c22-19-12-4-7-14-6-3-11-18(21(14)19)16-9-2-1-8-15(16)17-10-5-13-20(17)23/h1-12,23H
InChIKeyUYOQTHBHMPUCII-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.24
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol?
The IUPAC name of 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol (CID 176543435) is 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol.
What is the SMILES notation for 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol?
The canonical SMILES for 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol is OC1=C=CC=C1c1ccccc1-c1cccc2cccc(Br)c12.
What is the InChIKey of 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol?
The InChIKey is UYOQTHBHMPUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrO/c22-19-12-4-7-14-6-3-11-18(21(14)19)16-9-2-1-8-15(16)17-10-5-13-20(17)23/h1-12,23H.
What are the key properties of 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol?
5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol has a molecular weight of 361.24 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-bromonaphthalen-1-yl)phenyl]cyclopenta-1,2,4-trien-1-ol is sourced from PubChem (CID 176543435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).