5-(4-methoxyphenyl)-2,3-dihydroinden-1-one

C16H14O2 — CID 11149112

IUPAC5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)cc1
InChIInChI=1S/C16H14O2/c1-18-14-6-2-11(3-7-14)12-4-8-15-13(10-12)5-9-16(15)17/h2-4,6-8,10H,5,9H2,1H3
InChIKeyBAZLGMNEOSEGMG-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.49
Rot. Bonds2

About 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one

5-(4-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 11149112) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID11149112
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)cc1
InChIInChI=1S/C16H14O2/c1-18-14-6-2-11(3-7-14)12-4-8-15-13(10-12)5-9-16(15)17/h2-4,6-8,10H,5,9H2,1H3
InChIKeyBAZLGMNEOSEGMG-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one (CID 11149112) is 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc(-c2ccc3c(c2)CCC3=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is BAZLGMNEOSEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-14-6-2-11(3-7-14)12-4-8-15-13(10-12)5-9-16(15)17/h2-4,6-8,10H,5,9H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 238.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 11149112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).