2-benzhydrylidene-8-hydroxynaphthalen-1-one

C23H16O2 — CID 5378994

IUPAC2-benzhydrylidene-8-hydroxynaphthalen-1-one
SMILESO=C1C(=C(c2ccccc2)c2ccccc2)C=Cc2cccc(O)c21
InChIInChI=1S/C23H16O2/c24-20-13-7-12-18-14-15-19(23(25)22(18)20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,24H
InChIKeyJCYKYWHQBGZAFE-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.10
Rot. Bonds2

About 2-benzhydrylidene-8-hydroxynaphthalen-1-one

2-benzhydrylidene-8-hydroxynaphthalen-1-one (PubChem CID 5378994) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-benzhydrylidene-8-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name2-benzhydrylidene-8-hydroxynaphthalen-1-one
PubChem CID5378994
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name2-benzhydrylidene-8-hydroxynaphthalen-1-one
SMILESO=C1C(=C(c2ccccc2)c2ccccc2)C=Cc2cccc(O)c21
InChIInChI=1S/C23H16O2/c24-20-13-7-12-18-14-15-19(23(25)22(18)20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,24H
InChIKeyJCYKYWHQBGZAFE-UHFFFAOYSA-N
XLogP5.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
CID 10663747
N-(3-oxoinden-4-yl)benzamide
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N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide
CID 142660972
CID 158452185
CID 158452185
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
1,2-diphenylethane-1,2-dione bromide
CID 86754555
4-hydroxy-10-phenyliminoanthracen-9-one
CID 136857426
1,5-dibenzhydrylidenepentalene
CID 101439487
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
CID 175981713
CID 175981713

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidene-8-hydroxynaphthalen-1-one?
The IUPAC name of 2-benzhydrylidene-8-hydroxynaphthalen-1-one (CID 5378994) is 2-benzhydrylidene-8-hydroxynaphthalen-1-one.
What is the SMILES notation for 2-benzhydrylidene-8-hydroxynaphthalen-1-one?
The canonical SMILES for 2-benzhydrylidene-8-hydroxynaphthalen-1-one is O=C1C(=C(c2ccccc2)c2ccccc2)C=Cc2cccc(O)c21.
What is the InChIKey of 2-benzhydrylidene-8-hydroxynaphthalen-1-one?
The InChIKey is JCYKYWHQBGZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c24-20-13-7-12-18-14-15-19(23(25)22(18)20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,24H.
What are the key properties of 2-benzhydrylidene-8-hydroxynaphthalen-1-one?
2-benzhydrylidene-8-hydroxynaphthalen-1-one has a molecular weight of 324.38 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidene-8-hydroxynaphthalen-1-one is sourced from PubChem (CID 5378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).