1-cyclopropyl-2-propan-2-yloxybenzene

C12H16O — CID 121339492

IUPAC1-cyclopropyl-2-propan-2-yloxybenzene
SMILESCC(C)Oc1ccccc1C1CC1
InChIInChI=1S/C12H16O/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHZUHTHDXIYPWLA-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.35
Rot. Bonds3

About 1-cyclopropyl-2-propan-2-yloxybenzene

1-cyclopropyl-2-propan-2-yloxybenzene (PubChem CID 121339492) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-cyclopropyl-2-propan-2-yloxybenzene
PubChem CID121339492
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-cyclopropyl-2-propan-2-yloxybenzene
SMILESCC(C)Oc1ccccc1C1CC1
InChIInChI=1S/C12H16O/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHZUHTHDXIYPWLA-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

p-tert-Butylphenyl glycidyl ether
CID 18360
Thymyl methyl ether
CID 14104
2-Methylanisole
CID 33637
Carvacryl methyl ether
CID 80790
Dihydrobenzofuran
CID 10329
o-CRESYL GLYCIDYL ETHER
CID 16640
Carvacryl ethyl ether
CID 527268
2,4-Dimethylanisole
CID 81221
1-(Cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
2-Methoxybiphenyl
CID 6835
2-Biphenylyl phenyl ether
CID 81220

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-cyclopropyl-2-propan-2-yloxybenzene (CID 121339492) is 1-cyclopropyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-cyclopropyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-cyclopropyl-2-propan-2-yloxybenzene is CC(C)Oc1ccccc1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-propan-2-yloxybenzene?
The InChIKey is HZUHTHDXIYPWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)13-12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-propan-2-yloxybenzene?
1-cyclopropyl-2-propan-2-yloxybenzene has a molecular weight of 176.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 121339492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).