6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

C12H16O2 — CID 176893172

IUPAC6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOC1=C(C)C=C2C(=O)CCCC2C1
InChIInChI=1S/C12H16O2/c1-8-6-10-9(7-12(8)14-2)4-3-5-11(10)13/h6,9H,3-5,7H2,1-2H3
InChIKeyCEJUOXLTUDKQBU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds1

About 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one

6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (PubChem CID 176893172) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
PubChem CID176893172
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
SMILESCOC1=C(C)C=C2C(=O)CCCC2C1
InChIInChI=1S/C12H16O2/c1-8-6-10-9(7-12(8)14-2)4-3-5-11(10)13/h6,9H,3-5,7H2,1-2H3
InChIKeyCEJUOXLTUDKQBU-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092
6-(difluoromethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 118609110
6-methoxy-2-(2,2,2-trifluoroethyl)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176914894
2-Cyclohexen-1-one, 4-butyl-3-methoxy-
CID 574101
hydron;(4R)-4-phenyl-4,6,7,8-tetrahydrochromen-5-one
CID 139089631
1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone
CID 15315367
6,7-Dimethyl-2-methoxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 13443680
7-methoxy-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-one
CID 13905843
Cyclohexen-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 17785148

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one (CID 176893172) is 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is COC1=C(C)C=C2C(=O)CCCC2C1.
What is the InChIKey of 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
The InChIKey is CEJUOXLTUDKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-10-9(7-12(8)14-2)4-3-5-11(10)13/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one?
6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 176893172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).