2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone

C17H16O2 — CID 12045348

IUPAC2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C17H16O2/c1-19-14-9-6-13(7-10-14)17(18)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11H2,1H3
InChIKeyPANOIIIPJMKNLK-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.61
Rot. Bonds3

About 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone

2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone (PubChem CID 12045348) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
PubChem CID12045348
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C17H16O2/c1-19-14-9-6-13(7-10-14)17(18)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11H2,1H3
InChIKeyPANOIIIPJMKNLK-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone (CID 12045348) is 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone?
The InChIKey is PANOIIIPJMKNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-14-9-6-13(7-10-14)17(18)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone?
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 12045348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).