2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one

C15H20O2 — CID 14957792

IUPAC2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCCC1(CC)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C15H20O2/c1-4-15(5-2)9-8-11-10-12(17-3)6-7-13(11)14(15)16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyJTJMCVUCVYQEFN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.63
Rot. Bonds3

About 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one

2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 14957792) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID14957792
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one
SMILESCCC1(CC)CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C15H20O2/c1-4-15(5-2)9-8-11-10-12(17-3)6-7-13(11)14(15)16/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyJTJMCVUCVYQEFN-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 4409
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CID 51040
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CID 7476
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CID 641818
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CID 9799417
CID 9799417
CID 31494
CID 31494
CID 14112
CID 14112
CID 71818
CID 71818
CID 71043
CID 71043
CID 123493
CID 123493
CID 76991
CID 76991
CID 38839
CID 38839

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one (CID 14957792) is 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one is CCC1(CC)CCc2cc(OC)ccc2C1=O.
What is the InChIKey of 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is JTJMCVUCVYQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-15(5-2)9-8-11-10-12(17-3)6-7-13(11)14(15)16/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one?
2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 14957792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).