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

C14H18O — CID 135290511

IUPAC7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
SMILESCC(C)(C)Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C14H18O/c1-14(2,3)15-13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyYHDXWOVVUBVITC-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.82
Rot. Bonds1

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

7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene (PubChem CID 135290511) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
PubChem CID135290511
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
SMILESCC(C)(C)Oc1ccc2c(c1)CCC=C2
InChIInChI=1S/C14H18O/c1-14(2,3)15-13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3
InChIKeyYHDXWOVVUBVITC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene?
The IUPAC name of 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene (CID 135290511) is 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene.
What is the SMILES notation for 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene?
The canonical SMILES for 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene is CC(C)(C)Oc1ccc2c(c1)CCC=C2.
What is the InChIKey of 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene?
The InChIKey is YHDXWOVVUBVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2,3)15-13-9-8-11-6-4-5-7-12(11)10-13/h4,6,8-10H,5,7H2,1-3H3.
What are the key properties of 7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene?
7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene has a molecular weight of 202.30 g/mol, XLogP of 3.82, 1 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]-1,2-dihydronaphthalene is sourced from PubChem (CID 135290511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).