7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene

C20H22O — CID 150184900

IUPAC7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene
SMILESCC(C)(C)Oc1ccc2c(c1)CCC(c1ccccc1)=C2
InChIInChI=1S/C20H22O/c1-20(2,3)21-19-12-11-17-13-16(9-10-18(17)14-19)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3
InChIKeyFMEYAGLCAOTDHW-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.35
Rot. Bonds2

About 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene

7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene (PubChem CID 150184900) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene
PubChem CID150184900
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene
SMILESCC(C)(C)Oc1ccc2c(c1)CCC(c1ccccc1)=C2
InChIInChI=1S/C20H22O/c1-20(2,3)21-19-12-11-17-13-16(9-10-18(17)14-19)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3
InChIKeyFMEYAGLCAOTDHW-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene (CID 150184900) is 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene is CC(C)(C)Oc1ccc2c(c1)CCC(c1ccccc1)=C2.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene?
The InChIKey is FMEYAGLCAOTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-20(2,3)21-19-12-11-17-13-16(9-10-18(17)14-19)15-7-5-4-6-8-15/h4-8,11-14H,9-10H2,1-3H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene?
7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene has a molecular weight of 278.39 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 150184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).