2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene

C21H22O — CID 173309797

IUPAC2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
SMILESCOc1ccc2cc(-c3cccc(CC(C)C)c3)ccc2c1
InChIInChI=1S/C21H22O/c1-15(2)11-16-5-4-6-17(12-16)18-7-8-20-14-21(22-3)10-9-19(20)13-18/h4-10,12-15H,11H2,1-3H3
InChIKeyDQWSBOBWQHAMFO-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.71
Rot. Bonds4

About 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene

2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene (PubChem CID 173309797) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
PubChem CID173309797
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
SMILESCOc1ccc2cc(-c3cccc(CC(C)C)c3)ccc2c1
InChIInChI=1S/C21H22O/c1-15(2)11-16-5-4-6-17(12-16)18-7-8-20-14-21(22-3)10-9-19(20)13-18/h4-10,12-15H,11H2,1-3H3
InChIKeyDQWSBOBWQHAMFO-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methoxyphenyl)phenyl]butan-2-amine
CID 170888859
2-methoxy-6-phenylnaphthalene
CID 11253308
5-methoxy-2-[3-(2-methylpropyl)phenyl]benzoic acid
CID 116545184
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(3-fluorophenyl)-6-methoxynaphthalene
CID 45156519
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
N-[[3-(4-methoxyphenyl)phenyl]methyl]thiohydroxylamine
CID 90720567
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-methoxy-4-[3-(thionitrosomethyl)phenyl]benzene
CID 174476186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene?
The IUPAC name of 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene (CID 173309797) is 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene?
The canonical SMILES for 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene is COc1ccc2cc(-c3cccc(CC(C)C)c3)ccc2c1.
What is the InChIKey of 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene?
The InChIKey is DQWSBOBWQHAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-15(2)11-16-5-4-6-17(12-16)18-7-8-20-14-21(22-3)10-9-19(20)13-18/h4-10,12-15H,11H2,1-3H3.
What are the key properties of 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene?
2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene has a molecular weight of 290.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene is sourced from PubChem (CID 173309797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).