2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol

C22H24O2 — CID 56957568

IUPAC2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol
SMILESOc1cccc(-c2ccc(C3(O)C4CC5CC(C4)CC3C5)cc2)c1
InChIInChI=1S/C22H24O2/c23-21-3-1-2-17(13-21)16-4-6-18(7-5-16)22(24)19-9-14-8-15(11-19)12-20(22)10-14/h1-7,13-15,19-20,23-24H,8-12H2
InChIKeyMRBZYAGLPMNMKH-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.70
Rot. Bonds2

About 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol

2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol (PubChem CID 56957568) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol
PubChem CID56957568
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol
SMILESOc1cccc(-c2ccc(C3(O)C4CC5CC(C4)CC3C5)cc2)c1
InChIInChI=1S/C22H24O2/c23-21-3-1-2-17(13-21)16-4-6-18(7-5-16)22(24)19-9-14-8-15(11-19)12-20(22)10-14/h1-7,13-15,19-20,23-24H,8-12H2
InChIKeyMRBZYAGLPMNMKH-UHFFFAOYSA-N
XLogP4.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethenylphenyl)adamantan-2-ol
CID 118052026
2-(4-ethenylphenyl)adamantan-2-ol;methane
CID 159927256
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
octalen-2-ol
CID 174999308
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(4-chlorophenyl)phenol
CID 3015395
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol
CID 59052123
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
9-(3-hydroxyphenyl)-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 86260595
(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
CID 102394801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol?
The IUPAC name of 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol (CID 56957568) is 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol.
What is the SMILES notation for 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol?
The canonical SMILES for 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol is Oc1cccc(-c2ccc(C3(O)C4CC5CC(C4)CC3C5)cc2)c1.
What is the InChIKey of 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol?
The InChIKey is MRBZYAGLPMNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c23-21-3-1-2-17(13-21)16-4-6-18(7-5-16)22(24)19-9-14-8-15(11-19)12-20(22)10-14/h1-7,13-15,19-20,23-24H,8-12H2.
What are the key properties of 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol?
2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol has a molecular weight of 320.43 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol is sourced from PubChem (CID 56957568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).