2-methyl-2-phenoxybicyclo[2.2.1]heptane

C14H18O — CID 71174803

IUPAC2-methyl-2-phenoxybicyclo[2.2.1]heptane
SMILESCC1(Oc2ccccc2)CC2CCC1C2
InChIInChI=1S/C14H18O/c1-14(10-11-7-8-12(14)9-11)15-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyOOUZHLKLLARLLC-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.64
Rot. Bonds2

About 2-methyl-2-phenoxybicyclo[2.2.1]heptane

2-methyl-2-phenoxybicyclo[2.2.1]heptane (PubChem CID 71174803) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-2-phenoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-2-phenoxybicyclo[2.2.1]heptane
PubChem CID71174803
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methyl-2-phenoxybicyclo[2.2.1]heptane
SMILESCC1(Oc2ccccc2)CC2CCC1C2
InChIInChI=1S/C14H18O/c1-14(10-11-7-8-12(14)9-11)15-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyOOUZHLKLLARLLC-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxybicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-2-phenoxybicyclo[2.2.1]heptane (CID 71174803) is 2-methyl-2-phenoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-2-phenoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-2-phenoxybicyclo[2.2.1]heptane is CC1(Oc2ccccc2)CC2CCC1C2.
What is the InChIKey of 2-methyl-2-phenoxybicyclo[2.2.1]heptane?
The InChIKey is OOUZHLKLLARLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(10-11-7-8-12(14)9-11)15-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-methyl-2-phenoxybicyclo[2.2.1]heptane?
2-methyl-2-phenoxybicyclo[2.2.1]heptane has a molecular weight of 202.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 71174803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).