2-(4-methoxyphenyl)bicyclo[2.2.1]heptane

C14H18O — CID 23156728

IUPAC2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
SMILESCOc1ccc(C2CC3CCC2C3)cc1
InChIInChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3
InChIKeyZFPJNAAGDQCSMO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane

2-(4-methoxyphenyl)bicyclo[2.2.1]heptane (PubChem CID 23156728) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
PubChem CID23156728
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
SMILESCOc1ccc(C2CC3CCC2C3)cc1
InChIInChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3
InChIKeyZFPJNAAGDQCSMO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane (CID 23156728) is 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane is COc1ccc(C2CC3CCC2C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The InChIKey is ZFPJNAAGDQCSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
2-(4-methoxyphenyl)bicyclo[2.2.1]heptane has a molecular weight of 202.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 23156728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).