(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one

C17H14O2 — CID 2623286

IUPAC(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
SMILESCc1cccc(/C=C2/COc3ccccc3C2=O)c1
InChIInChI=1S/C17H14O2/c1-12-5-4-6-13(9-12)10-14-11-19-16-8-3-2-7-15(16)17(14)18/h2-10H,11H2,1H3/b14-10-
InChIKeyWBGSDVMJQHSORL-UVTDQMKNSA-N
MW250.30 g/mol
LogP3.65
Rot. Bonds1

About (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one

(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one (PubChem CID 2623286) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
PubChem CID2623286
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
SMILESCc1cccc(/C=C2/COc3ccccc3C2=O)c1
InChIInChI=1S/C17H14O2/c1-12-5-4-6-13(9-12)10-14-11-19-16-8-3-2-7-15(16)17(14)18/h2-10H,11H2,1H3/b14-10-
InChIKeyWBGSDVMJQHSORL-UVTDQMKNSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.65
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

3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 92525608
(3E)-3-[(4-cyclohexyl-3-fluorophenyl)methylidene]chromen-4-one
CID 139083777
3-[(4-phenoxyphenyl)methylidene]chromen-4-one
CID 4029259
3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one
CID 2733028
N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
CID 17391461
(3E)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]chromen-4-one
CID 8861986
(3E)-3-[[4-(methylamino)-3-nitrophenyl]methylidene]chromen-4-one
CID 7760876
3-[(3-chloro-4,5-dimethoxyphenyl)methylidene]chromen-4-one
CID 3533447
(3E)-3-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]chromen-4-one
CID 8861892
3-benzylidene-1-benzofuran
CID 72960863

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one?
The IUPAC name of (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one (CID 2623286) is (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one is Cc1cccc(/C=C2/COc3ccccc3C2=O)c1.
What is the InChIKey of (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one?
The InChIKey is WBGSDVMJQHSORL-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H14O2/c1-12-5-4-6-13(9-12)10-14-11-19-16-8-3-2-7-15(16)17(14)18/h2-10H,11H2,1H3/b14-10-.
What are the key properties of (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one?
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 2623286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).