4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate

C19H22O3 — CID 159161137

IUPAC4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate
SMILESO.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C19H20O2.H2O/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15;/h3-10,13,16,20-21H,1-2,11-12H2;1H2
InChIKeyKKMOFKITJMOQIC-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.38
Rot. Bonds2

About 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate

4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate (PubChem CID 159161137) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate
PubChem CID159161137
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate
SMILESO.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1
InChIInChI=1S/C19H20O2.H2O/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15;/h3-10,13,16,20-21H,1-2,11-12H2;1H2
InChIKeyKKMOFKITJMOQIC-UHFFFAOYSA-N
XLogP3.38
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate (CID 159161137) is 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate is O.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate?
The InChIKey is KKMOFKITJMOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2.H2O/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15;/h3-10,13,16,20-21H,1-2,11-12H2;1H2.
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate?
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate has a molecular weight of 298.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol;hydrate is sourced from PubChem (CID 159161137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).