(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one

C18H15ClO2 — CID 6048945

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H15ClO2/c1-21-16-9-6-13-4-5-14(18(20)17(13)11-16)10-12-2-7-15(19)8-3-12/h2-3,6-11H,4-5H2,1H3/b14-10-
InChIKeyCBPVONLZFZEJRD-UVTDQMKNSA-N
MW298.77 g/mol
LogP4.56
Rot. Bonds2

About (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one

(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 6048945) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID6048945
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H15ClO2/c1-21-16-9-6-13-4-5-14(18(20)17(13)11-16)10-12-2-7-15(19)8-3-12/h2-3,6-11H,4-5H2,1H3/b14-10-
InChIKeyCBPVONLZFZEJRD-UVTDQMKNSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
(2E)-7-methoxy-2-[(1-methylindol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 134154729
7-[(4-chlorophenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 175422904
(2E)-2-benzylidene-7-chloro-3,4-dihydronaphthalen-1-one
CID 155364648
2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one bromide
CID 178159376
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 177442948
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
CID 6212947
4-[(Z)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzoic acid
CID 9447278
2-(furan-2-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 67619456
6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 756883
(2Z)-6-methoxy-2-[(4-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054596

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one (CID 6048945) is (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1)CC2.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is CBPVONLZFZEJRD-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-21-16-9-6-13-4-5-14(18(20)17(13)11-16)10-12-2-7-15(19)8-3-12/h2-3,6-11H,4-5H2,1H3/b14-10-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one?
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 298.77 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6048945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).