6-methoxy-1,1,4-trimethyl-2H-naphthalene

C14H18O — CID 20646489

IUPAC6-methoxy-1,1,4-trimethyl-2H-naphthalene
SMILESCOc1ccc2c(c1)C(C)=CCC2(C)C
InChIInChI=1S/C14H18O/c1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13/h5-7,9H,8H2,1-4H3
InChIKeyRGGBVJKWVFOZPP-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.78
Rot. Bonds1

About 6-methoxy-1,1,4-trimethyl-2H-naphthalene

6-methoxy-1,1,4-trimethyl-2H-naphthalene (PubChem CID 20646489) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methoxy-1,1,4-trimethyl-2H-naphthalene.

Molecular Properties

Compound Name6-methoxy-1,1,4-trimethyl-2H-naphthalene
PubChem CID20646489
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name6-methoxy-1,1,4-trimethyl-2H-naphthalene
SMILESCOc1ccc2c(c1)C(C)=CCC2(C)C
InChIInChI=1S/C14H18O/c1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13/h5-7,9H,8H2,1-4H3
InChIKeyRGGBVJKWVFOZPP-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
CID 22946830
2-(6-methoxy-4,4-dimethyl-3H-naphthalen-1-yl)ethanol
CID 86028923
4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene
CID 102100246
1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene
CID 20646486
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
dichloromethane;ethane;hydron;6-methoxy-3,4-dihydro-2H-naphthalen-1-one;7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene;7-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one;7-methoxy-1,4,4-trimethyl-2,3-dihydronaphthalen-1-ol;6-methoxy-1,1,4-trimethyl-2H-naphthalene;(5,5,8-trimethyl-6H-naphthalen-2-yl) propanoate
CID 160591671
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
9-methoxy-6,6-dimethyl-1,5-dihydrobenzo[h]quinazolin-2-one
CID 57246441
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
CID 624568
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,1,4-trimethyl-2H-naphthalene?
The IUPAC name of 6-methoxy-1,1,4-trimethyl-2H-naphthalene (CID 20646489) is 6-methoxy-1,1,4-trimethyl-2H-naphthalene.
What is the SMILES notation for 6-methoxy-1,1,4-trimethyl-2H-naphthalene?
The canonical SMILES for 6-methoxy-1,1,4-trimethyl-2H-naphthalene is COc1ccc2c(c1)C(C)=CCC2(C)C.
What is the InChIKey of 6-methoxy-1,1,4-trimethyl-2H-naphthalene?
The InChIKey is RGGBVJKWVFOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-7-8-14(2,3)13-6-5-11(15-4)9-12(10)13/h5-7,9H,8H2,1-4H3.
What are the key properties of 6-methoxy-1,1,4-trimethyl-2H-naphthalene?
6-methoxy-1,1,4-trimethyl-2H-naphthalene has a molecular weight of 202.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,1,4-trimethyl-2H-naphthalene is sourced from PubChem (CID 20646489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).