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

C18H16O2 — CID 6925418

IUPAC(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccccc1/C=C1/CCc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-20-17-9-5-3-7-14(17)12-15-11-10-13-6-2-4-8-16(13)18(15)19/h2-9,12H,10-11H2,1H3/b15-12-
InChIKeyFLTXETIZXYAOLF-QINSGFPZSA-N
MW264.32 g/mol
LogP3.91
Rot. Bonds2

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

(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 6925418) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID6925418
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccccc1/C=C1/CCc2ccccc2C1=O
InChIInChI=1S/C18H16O2/c1-20-17-9-5-3-7-14(17)12-15-11-10-13-6-2-4-8-16(13)18(15)19/h2-9,12H,10-11H2,1H3/b15-12-
InChIKeyFLTXETIZXYAOLF-QINSGFPZSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 4815870
(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2342691
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468152
(2E)-2-[(3-chloro-4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 22918690
(5E)-2-[(3,5-dimethoxyphenyl)methylidene]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one
CID 154190116
(2E)-2-[(2,5-difluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47241323
(5Z)-5-[(2-methoxyphenyl)methylidene]-6,7-dimethyl-8,9-dihydrobenzo[7]annulene
CID 142906660
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2442669
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209
(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 46945072
2-[(2,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 711408

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 6925418) is (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is COc1ccccc1/C=C1/CCc2ccccc2C1=O.
What is the InChIKey of (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is FLTXETIZXYAOLF-QINSGFPZSA-N. The full InChI is InChI=1S/C18H16O2/c1-20-17-9-5-3-7-14(17)12-15-11-10-13-6-2-4-8-16(13)18(15)19/h2-9,12H,10-11H2,1H3/b15-12-.
What are the key properties of (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6925418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).