1-[(2-propan-2-ylphenoxy)methyl]naphthalene

C20H20O — CID 60627391

IUPAC1-[(2-propan-2-ylphenoxy)methyl]naphthalene
SMILESCC(C)c1ccccc1OCc1cccc2ccccc12
InChIInChI=1S/C20H20O/c1-15(2)18-11-5-6-13-20(18)21-14-17-10-7-9-16-8-3-4-12-19(16)17/h3-13,15H,14H2,1-2H3
InChIKeyLGQKHGKUQXOCAY-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.54
Rot. Bonds4

About 1-[(2-propan-2-ylphenoxy)methyl]naphthalene

1-[(2-propan-2-ylphenoxy)methyl]naphthalene (PubChem CID 60627391) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2-propan-2-ylphenoxy)methyl]naphthalene.

Molecular Properties

Compound Name1-[(2-propan-2-ylphenoxy)methyl]naphthalene
PubChem CID60627391
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-[(2-propan-2-ylphenoxy)methyl]naphthalene
SMILESCC(C)c1ccccc1OCc1cccc2ccccc12
InChIInChI=1S/C20H20O/c1-15(2)18-11-5-6-13-20(18)21-14-17-10-7-9-16-8-3-4-12-19(16)17/h3-13,15H,14H2,1-2H3
InChIKeyLGQKHGKUQXOCAY-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
CID 78933829
1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
2-[(2-propan-2-ylphenoxy)methyl]benzaldehyde
CID 87257554
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
CID 135021360
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
1-(phenoxymethyl)naphthalene
CID 588110
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-ylphenoxy)methyl]naphthalene?
The IUPAC name of 1-[(2-propan-2-ylphenoxy)methyl]naphthalene (CID 60627391) is 1-[(2-propan-2-ylphenoxy)methyl]naphthalene.
What is the SMILES notation for 1-[(2-propan-2-ylphenoxy)methyl]naphthalene?
The canonical SMILES for 1-[(2-propan-2-ylphenoxy)methyl]naphthalene is CC(C)c1ccccc1OCc1cccc2ccccc12.
What is the InChIKey of 1-[(2-propan-2-ylphenoxy)methyl]naphthalene?
The InChIKey is LGQKHGKUQXOCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-15(2)18-11-5-6-13-20(18)21-14-17-10-7-9-16-8-3-4-12-19(16)17/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-[(2-propan-2-ylphenoxy)methyl]naphthalene?
1-[(2-propan-2-ylphenoxy)methyl]naphthalene has a molecular weight of 276.38 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-ylphenoxy)methyl]naphthalene is sourced from PubChem (CID 60627391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).