(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one

C23H16O2 — CID 10663747

IUPAC(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccccc2)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C23H16O2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)21-14-15-22(25)20-9-5-4-8-19(20)21/h1-15,24H/b23-21+
InChIKeyXNVTYINRIVCDQA-XTQSDGFTSA-N
MW324.38 g/mol
LogP5.10
Rot. Bonds2

About (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one

(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one (PubChem CID 10663747) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
PubChem CID10663747
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
SMILESO=C1C=C/C(=C(/c2ccccc2)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C23H16O2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)21-14-15-22(25)20-9-5-4-8-19(20)21/h1-15,24H/b23-21+
InChIKeyXNVTYINRIVCDQA-XTQSDGFTSA-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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(4-bromophenyl)-(4-hydroxynaphthalen-1-yl)methylidene]naphthalen-1-one
CID 11797941
gold;naphthalene-1,4-dione
CID 159229238
sodium naphthalene-1,4-dione
CID 18935707
hydron;naphthalene-1,4-dione
CID 174880921
acetic acid;naphthalene-1,4-dione
CID 163817542
4-(4-hydroxyphenyl)iminonaphthalen-1-one
CID 102089566
5-[(4-hydroxyphenyl)-phenylmethylidene]imidazolidine-2,4-dione
CID 139949029
hydrazine;naphthalene-1,4-dione
CID 67783218
ethane;naphthalene-1,4-dione
CID 54088717
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
isoindole-1,3-dione;naphthalene-1,4-dione
CID 70478975

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one?
The IUPAC name of (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one (CID 10663747) is (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one?
The canonical SMILES for (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one is O=C1C=C/C(=C(/c2ccccc2)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one?
The InChIKey is XNVTYINRIVCDQA-XTQSDGFTSA-N. The full InChI is InChI=1S/C23H16O2/c24-18-12-10-17(11-13-18)23(16-6-2-1-3-7-16)21-14-15-22(25)20-9-5-4-8-19(20)21/h1-15,24H/b23-21+.
What are the key properties of (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one?
(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-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 (4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one is sourced from PubChem (CID 10663747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).