3,6-dimethoxy-2-propan-2-ylnaphthalene

C15H18O2 — CID 71390395

IUPAC3,6-dimethoxy-2-propan-2-ylnaphthalene
SMILESCOc1ccc2cc(C(C)C)c(OC)cc2c1
InChIInChI=1S/C15H18O2/c1-10(2)14-8-11-5-6-13(16-3)7-12(11)9-15(14)17-4/h5-10H,1-4H3
InChIKeyXAMJVQHIJMAUEX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.98
Rot. Bonds3

About 3,6-dimethoxy-2-propan-2-ylnaphthalene

3,6-dimethoxy-2-propan-2-ylnaphthalene (PubChem CID 71390395) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,6-dimethoxy-2-propan-2-ylnaphthalene.

Molecular Properties

Compound Name3,6-dimethoxy-2-propan-2-ylnaphthalene
PubChem CID71390395
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3,6-dimethoxy-2-propan-2-ylnaphthalene
SMILESCOc1ccc2cc(C(C)C)c(OC)cc2c1
InChIInChI=1S/C15H18O2/c1-10(2)14-8-11-5-6-13(16-3)7-12(11)9-15(14)17-4/h5-10H,1-4H3
InChIKeyXAMJVQHIJMAUEX-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
6-methoxy-3-propan-2-ylquinolin-2-amine
CID 63232081
5-(3,6-dimethoxynaphthalen-2-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155345531
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
1,3,7-trimethoxynaphthalene
CID 102088907
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-propan-2-ylnaphthalene?
The IUPAC name of 3,6-dimethoxy-2-propan-2-ylnaphthalene (CID 71390395) is 3,6-dimethoxy-2-propan-2-ylnaphthalene.
What is the SMILES notation for 3,6-dimethoxy-2-propan-2-ylnaphthalene?
The canonical SMILES for 3,6-dimethoxy-2-propan-2-ylnaphthalene is COc1ccc2cc(C(C)C)c(OC)cc2c1.
What is the InChIKey of 3,6-dimethoxy-2-propan-2-ylnaphthalene?
The InChIKey is XAMJVQHIJMAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(2)14-8-11-5-6-13(16-3)7-12(11)9-15(14)17-4/h5-10H,1-4H3.
What are the key properties of 3,6-dimethoxy-2-propan-2-ylnaphthalene?
3,6-dimethoxy-2-propan-2-ylnaphthalene has a molecular weight of 230.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-propan-2-ylnaphthalene is sourced from PubChem (CID 71390395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).