2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol

C14H18O2 — CID 101480778

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C2CC3CCC2C3)c1
InChIInChI=1S/C14H18O2/c1-16-11-4-5-14(15)13(8-11)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyGSCBFGALXOSJRS-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol

2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol (PubChem CID 101480778) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol
PubChem CID101480778
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C2CC3CCC2C3)c1
InChIInChI=1S/C14H18O2/c1-16-11-4-5-14(15)13(8-11)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyGSCBFGALXOSJRS-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol (CID 101480778) is 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol is COc1ccc(O)c(C2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol?
The InChIKey is GSCBFGALXOSJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-11-4-5-14(15)13(8-11)12-7-9-2-3-10(12)6-9/h4-5,8-10,12,15H,2-3,6-7H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol?
2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol has a molecular weight of 218.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxyphenol is sourced from PubChem (CID 101480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).