(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

C18H15BrO2 — CID 11523005

IUPAC(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccccc1Br)C2=O
InChIInChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
InChIKeyZHOQTMYSBFYMPC-GXDHUFHOSA-N
MW343.22 g/mol
LogP4.67
Rot. Bonds2

About (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 11523005) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID11523005
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccccc1Br)C2=O
InChIInChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
InChIKeyZHOQTMYSBFYMPC-GXDHUFHOSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2-bromophenyl)methylidene]-6-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

6-Methoxy-alpha-tetralone
CID 14112
2-(4-Methoxybenzylidene)-1-tetralone
CID 695537
4-Bromo-4'-methoxybenzophenone
CID 794333
4'-Bromo-4-methoxychalcone
CID 5357659
6-(benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CID 10682241
2,6-Dimethoxyanthracene-9,10-dione
CID 4589998
3,4-Dihydro-2-((4-methoxyphenyl)methylene)-1(2H)-naphthalenone
CID 367209
6-((4-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one
CID 61833183
6-((3-Bromophenyl)methoxy)-1,2,3,4-tetrahydronaphthalen-1-one
CID 61834439
2-Bromo-3,4-dihydro-7-methoxy-1(2H)-naphthalenone
CID 311906
7-(Benzyloxy)-3,4-dihydronaphthalen-1(2H)-one
CID 14068220
2-Methoxy-3-methyl-9,10-anthracenedione
CID 10514946

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one (CID 11523005) is (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=C\c1ccccc1Br)C2=O.
What is the InChIKey of (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is ZHOQTMYSBFYMPC-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+.
What are the key properties of (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one?
(2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 343.22 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-bromophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 11523005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).