(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one

C17H14O2 — CID 15732203

IUPAC(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C(\O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H14O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-9,18H,10-11H2/b16-15-
InChIKeyXXXBSAPQOAWFEJ-NXVVXOECSA-N
MW250.30 g/mol
LogP3.78
Rot. Bonds1

About (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one

(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 15732203) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID15732203
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C(\O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H14O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-9,18H,10-11H2/b16-15-
InChIKeyXXXBSAPQOAWFEJ-NXVVXOECSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[phenyl(thiophen-2-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 171477739
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
(5Z)-5-[hydroxy(phenyl)methylidene]-3-methyl-1,2-dihydro-3-benzazepin-4-one
CID 54723290
5-[hydroxy(phenyl)methylidene]-3-methyl-1,2-dihydro-3-benzazepin-4-one
CID 54713335
(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
CID 177494103
(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
CID 6199853
2,3-dihydroinden-1-one;sulfamic acid
CID 159659034
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
7,8,9,10-tetrahydrobenzo[8]annulene-5,6-dione
CID 13190621
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 15732203) is (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one is O=C1/C(=C(\O)c2ccccc2)CCc2ccccc21.
What is the InChIKey of (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is XXXBSAPQOAWFEJ-NXVVXOECSA-N. The full InChI is InChI=1S/C17H14O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-9,18H,10-11H2/b16-15-.
What are the key properties of (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[hydroxy(phenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 15732203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).