6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one

C16H22O3 — CID 10084070

IUPAC6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCOc1cc2c(cc1OCCC)C(=O)CCC2
InChIInChI=1S/C16H22O3/c1-3-8-18-15-10-12-6-5-7-14(17)13(12)11-16(15)19-9-4-2/h10-11H,3-9H2,1-2H3
InChIKeyCGQQNZSGNKULNY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.78
Rot. Bonds6

About 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one

6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10084070) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10084070
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCOc1cc2c(cc1OCCC)C(=O)CCC2
InChIInChI=1S/C16H22O3/c1-3-8-18-15-10-12-6-5-7-14(17)13(12)11-16(15)19-9-4-2/h10-11H,3-9H2,1-2H3
InChIKeyCGQQNZSGNKULNY-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one (CID 10084070) is 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one is CCCOc1cc2c(cc1OCCC)C(=O)CCC2.
What is the InChIKey of 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is CGQQNZSGNKULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-8-18-15-10-12-6-5-7-14(17)13(12)11-16(15)19-9-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one?
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10084070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).