6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene

C12H14O — CID 115511146

IUPAC6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C12H14O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8H,1,3-4,7H2,2H3
InChIKeyKWGYXRXYHVFFCE-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.74
Rot. Bonds1

About 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene

6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene (PubChem CID 115511146) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene
PubChem CID115511146
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene
SMILESC=C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C12H14O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8H,1,3-4,7H2,2H3
InChIKeyKWGYXRXYHVFFCE-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 23025244
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CID 102106088
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
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CID 11573806
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CID 143868283
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
3,6-dimethoxy-1,2-dihydronaphthalene
CID 13364263

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene?
The IUPAC name of 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene (CID 115511146) is 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene is C=C1CCc2ccc(OC)cc2C1.
What is the InChIKey of 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene?
The InChIKey is KWGYXRXYHVFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8H,1,3-4,7H2,2H3.
What are the key properties of 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene?
6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene has a molecular weight of 174.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylidene-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 115511146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).