4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one

C13H16O2 — CID 82076967

IUPAC4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1C(C(C)C)CC2=O
InChIInChI=1S/C13H16O2/c1-8(2)10-7-11(14)9-5-4-6-12(15-3)13(9)10/h4-6,8,10H,7H2,1-3H3
InChIKeyGQBREDBXEMUQKI-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.02
Rot. Bonds2

About 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one

4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 82076967) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID82076967
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1C(C(C)C)CC2=O
InChIInChI=1S/C13H16O2/c1-8(2)10-7-11(14)9-5-4-6-12(15-3)13(9)10/h4-6,8,10H,7H2,1-3H3
InChIKeyGQBREDBXEMUQKI-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one (CID 82076967) is 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one is COc1cccc2c1C(C(C)C)CC2=O.
What is the InChIKey of 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is GQBREDBXEMUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8(2)10-7-11(14)9-5-4-6-12(15-3)13(9)10/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one?
4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 82076967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).