7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

C12H16O2 — CID 10943323

IUPAC7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESCOC1=CC2=CC(=O)CCC2C(C)C1
InChIInChI=1S/C12H16O2/c1-8-5-11(14-2)7-9-6-10(13)3-4-12(8)9/h6-8,12H,3-5H2,1-2H3
InChIKeyUCYRMZIAQCYYOJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds1

About 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (PubChem CID 10943323) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
PubChem CID10943323
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
SMILESCOC1=CC2=CC(=O)CCC2C(C)C1
InChIInChI=1S/C12H16O2/c1-8-5-11(14-2)7-9-6-10(13)3-4-12(8)9/h6-8,12H,3-5H2,1-2H3
InChIKeyUCYRMZIAQCYYOJ-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mansonone A
CID 98364
(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
(3S,4aR,5R)-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 10921986
(3R,4aS,5S)-3-methoxy-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
CID 14287066
(4R,4aS)-1-acetyl-4,7-dimethyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 102117186
(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one
CID 162927835
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
Elisabethadione
CID 10267843
(5R,8S)-2-methoxy-3,8-dimethyl-5-[(2S,4E)-6-methylhepta-4,6-dien-2-yl]-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 11336418
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
2-Fluoro-8,9,10-trimethyl-3,4,6,7,10,11-hexahydrocycloocta[b]chromen-12-one
CID 142132887

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The IUPAC name of 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one (CID 10943323) is 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one.
What is the SMILES notation for 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The canonical SMILES for 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is COC1=CC2=CC(=O)CCC2C(C)C1.
What is the InChIKey of 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
The InChIKey is UCYRMZIAQCYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-11(14-2)7-9-6-10(13)3-4-12(8)9/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one?
7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one is sourced from PubChem (CID 10943323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).