5-(6-methoxy-3H-inden-1-yl)pentan-2-one

C15H18O2 — CID 158347332

IUPAC5-(6-methoxy-3H-inden-1-yl)pentan-2-one
SMILESCOc1ccc2c(c1)C(CCCC(C)=O)=CC2
InChIInChI=1S/C15H18O2/c1-11(16)4-3-5-12-6-7-13-8-9-14(17-2)10-15(12)13/h6,8-10H,3-5,7H2,1-2H3
InChIKeyGRWVNWZLQZGXKI-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds5

About 5-(6-methoxy-3H-inden-1-yl)pentan-2-one

5-(6-methoxy-3H-inden-1-yl)pentan-2-one (PubChem CID 158347332) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(6-methoxy-3H-inden-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(6-methoxy-3H-inden-1-yl)pentan-2-one
PubChem CID158347332
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5-(6-methoxy-3H-inden-1-yl)pentan-2-one
SMILESCOc1ccc2c(c1)C(CCCC(C)=O)=CC2
InChIInChI=1S/C15H18O2/c1-11(16)4-3-5-12-6-7-13-8-9-14(17-2)10-15(12)13/h6,8-10H,3-5,7H2,1-2H3
InChIKeyGRWVNWZLQZGXKI-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3H-inden-1-yl)pentan-2-one?
The IUPAC name of 5-(6-methoxy-3H-inden-1-yl)pentan-2-one (CID 158347332) is 5-(6-methoxy-3H-inden-1-yl)pentan-2-one.
What is the SMILES notation for 5-(6-methoxy-3H-inden-1-yl)pentan-2-one?
The canonical SMILES for 5-(6-methoxy-3H-inden-1-yl)pentan-2-one is COc1ccc2c(c1)C(CCCC(C)=O)=CC2.
What is the InChIKey of 5-(6-methoxy-3H-inden-1-yl)pentan-2-one?
The InChIKey is GRWVNWZLQZGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(16)4-3-5-12-6-7-13-8-9-14(17-2)10-15(12)13/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 5-(6-methoxy-3H-inden-1-yl)pentan-2-one?
5-(6-methoxy-3H-inden-1-yl)pentan-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3H-inden-1-yl)pentan-2-one is sourced from PubChem (CID 158347332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).