7-methoxy-2-methyl-3-phenylinden-1-one

C17H14O2 — CID 101034748

IUPAC7-methoxy-2-methyl-3-phenylinden-1-one
SMILESCOc1cccc2c1C(=O)C(C)=C2c1ccccc1
InChIInChI=1S/C17H14O2/c1-11-15(12-7-4-3-5-8-12)13-9-6-10-14(19-2)16(13)17(11)18/h3-10H,1-2H3
InChIKeyWQANADIDRCLQPS-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.71
Rot. Bonds2

About 7-methoxy-2-methyl-3-phenylinden-1-one

7-methoxy-2-methyl-3-phenylinden-1-one (PubChem CID 101034748) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-phenylinden-1-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-phenylinden-1-one
PubChem CID101034748
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name7-methoxy-2-methyl-3-phenylinden-1-one
SMILESCOc1cccc2c1C(=O)C(C)=C2c1ccccc1
InChIInChI=1S/C17H14O2/c1-11-15(12-7-4-3-5-8-12)13-9-6-10-14(19-2)16(13)17(11)18/h3-10H,1-2H3
InChIKeyWQANADIDRCLQPS-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-2-methyl-3-phenylinden-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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-3-phenylinden-1-one?
The IUPAC name of 7-methoxy-2-methyl-3-phenylinden-1-one (CID 101034748) is 7-methoxy-2-methyl-3-phenylinden-1-one.
What is the SMILES notation for 7-methoxy-2-methyl-3-phenylinden-1-one?
The canonical SMILES for 7-methoxy-2-methyl-3-phenylinden-1-one is COc1cccc2c1C(=O)C(C)=C2c1ccccc1.
What is the InChIKey of 7-methoxy-2-methyl-3-phenylinden-1-one?
The InChIKey is WQANADIDRCLQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-11-15(12-7-4-3-5-8-12)13-9-6-10-14(19-2)16(13)17(11)18/h3-10H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3-phenylinden-1-one?
7-methoxy-2-methyl-3-phenylinden-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-phenylinden-1-one is sourced from PubChem (CID 101034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).