(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one

C17H14O — CID 10399128

IUPAC(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
SMILESO=C1CC/C(=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14O/c18-17-11-10-14(12-13-6-2-1-3-7-13)15-8-4-5-9-16(15)17/h1-9,12H,10-11H2/b14-12-
InChIKeyDQWPPQQBPSWBIC-OWBHPGMISA-N
MW234.30 g/mol
LogP4.20
Rot. Bonds1

About (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one

(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one (PubChem CID 10399128) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
PubChem CID10399128
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
SMILESO=C1CC/C(=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H14O/c18-17-11-10-14(12-13-6-2-1-3-7-13)15-8-4-5-9-16(15)17/h1-9,12H,10-11H2/b14-12-
InChIKeyDQWPPQQBPSWBIC-OWBHPGMISA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzylidenecyclobutan-1-one
CID 73042587
4-ethylidene-2,3-dihydronaphthalen-1-one
CID 123395937
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
CID 101236564
benzaldehyde;(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one;3,4-dihydro-2H-naphthalen-1-one
CID 158089765
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
CID 15315265
(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
CID 68642899
(2E,7R)-2-benzylidene-7-phenylcycloheptan-1-one
CID 139039504
(2E)-2-benzylidene-7-chloro-3,4-dihydronaphthalen-1-one
CID 155364648
(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione
CID 50990375

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one?
The IUPAC name of (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one (CID 10399128) is (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one?
The canonical SMILES for (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one is O=C1CC/C(=C/c2ccccc2)c2ccccc21.
What is the InChIKey of (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one?
The InChIKey is DQWPPQQBPSWBIC-OWBHPGMISA-N. The full InChI is InChI=1S/C17H14O/c18-17-11-10-14(12-13-6-2-1-3-7-13)15-8-4-5-9-16(15)17/h1-9,12H,10-11H2/b14-12-.
What are the key properties of (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one?
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one has a molecular weight of 234.30 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 10399128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).