4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one

C15H20O2 — CID 18180234

IUPAC4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
SMILESCCC1(CC)CCC(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H20O2/c1-4-15(5-2)9-8-14(16)12-10-11(17-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIWXLHDGGQZBJQX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.73
Rot. Bonds3

About 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one

4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one (PubChem CID 18180234) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
PubChem CID18180234
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one
SMILESCCC1(CC)CCC(=O)c2cc(OC)ccc21
InChIInChI=1S/C15H20O2/c1-4-15(5-2)9-8-14(16)12-10-11(17-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyIWXLHDGGQZBJQX-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
1-ethyl-7-methoxy-4-oxo-2,3-dihydronaphthalene-1-carboxamide
CID 172861963
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
7-methoxyspiro[2,3-dihydronaphthalene-4,8'-6,7-dihydro-5H-imidazo[1,5-a]pyridine]-1-one
CID 66915641
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
CID 143874775
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one?
The IUPAC name of 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one (CID 18180234) is 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one is CCC1(CC)CCC(=O)c2cc(OC)ccc21.
What is the InChIKey of 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one?
The InChIKey is IWXLHDGGQZBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-15(5-2)9-8-14(16)12-10-11(17-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one?
4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-7-methoxy-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 18180234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).