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

C38H40O4 — CID 162029011

IUPAC4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1
InChIInChI=1S/2C19H20O2/c2*20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h2*3-10,13,16,20-21H,1-2,11-12H2
InChIKeyYVTRKWPFYVIMFW-UHFFFAOYSA-N
MW560.73 g/mol
LogP8.41
Rot. Bonds4

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

4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol (PubChem CID 162029011) has the molecular formula C38H40O4 and a molecular weight of 560.73 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
PubChem CID162029011
Molecular FormulaC38H40O4
Molecular Weight560.73 g/mol
Exact Mass560.29
IUPAC Name4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1
InChIInChI=1S/2C19H20O2/c2*20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h2*3-10,13,16,20-21H,1-2,11-12H2
InChIKeyYVTRKWPFYVIMFW-UHFFFAOYSA-N
XLogP8.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.73
LogP ≤ 58.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol (CID 162029011) is 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol is Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.Oc1ccc(C2(c3ccc(O)cc3)CC3CCC2C3)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol?
The InChIKey is YVTRKWPFYVIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20O2/c2*20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h2*3-10,13,16,20-21H,1-2,11-12H2.
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol?
4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol has a molecular weight of 560.73 g/mol, XLogP of 8.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl]phenol is sourced from PubChem (CID 162029011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).