4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one

C12H14O3 — CID 11413082

IUPAC4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)C(OC)CCC2=O
InChIInChI=1S/C12H14O3/c1-14-8-3-4-9-10(7-8)12(15-2)6-5-11(9)13/h3-4,7,12H,5-6H2,1-2H3
InChIKeyWVWQCQUMMFZGFF-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds2

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

4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11413082) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11413082
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)C(OC)CCC2=O
InChIInChI=1S/C12H14O3/c1-14-8-3-4-9-10(7-8)12(15-2)6-5-11(9)13/h3-4,7,12H,5-6H2,1-2H3
InChIKeyWVWQCQUMMFZGFF-UHFFFAOYSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 141336166
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
3-(7-methoxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)-2,2-dimethylpropanoic acid
CID 69457658
8-methoxy-1,2,3,3a,4,9b-hexahydrocyclopenta[a]naphthalen-5-one
CID 66652045
methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 146174124
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2,7,9-trimethoxy-9H-fluorene
CID 155898925
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetaldehyde
CID 23587254
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
3,5-dimethoxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 13396026
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl) 2-chloroacetate
CID 14691845

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 11413082) is 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)C(OC)CCC2=O.
What is the InChIKey of 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is WVWQCQUMMFZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-8-3-4-9-10(7-8)12(15-2)6-5-11(9)13/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one?
4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11413082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).