2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol

C28H27ClO — CID 170085474

IUPAC2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
SMILESOC1(c2ccc(Cl)cc2-c2ccccc2-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H27ClO/c29-23-10-11-27(28(30)21-13-18-12-19(15-21)16-22(28)14-18)26(17-23)25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-11,17-19,21-22,30H,12-16H2
InChIKeyHZDPQXPVMQTCOS-UHFFFAOYSA-N
MW414.98 g/mol
LogP7.32
Rot. Bonds3

About 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol

2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol (PubChem CID 170085474) has the molecular formula C28H27ClO and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
PubChem CID170085474
Molecular FormulaC28H27ClO
Molecular Weight414.98 g/mol
Exact Mass414.18
IUPAC Name2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
SMILESOC1(c2ccc(Cl)cc2-c2ccccc2-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H27ClO/c29-23-10-11-27(28(30)21-13-18-12-19(15-21)16-22(28)14-18)26(17-23)25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-11,17-19,21-22,30H,12-16H2
InChIKeyHZDPQXPVMQTCOS-UHFFFAOYSA-N
XLogP7.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-chloro-2-(5,5-dimethyldibenzothiophen-3-yl)phenyl]adamantan-2-ol
CID 170006689
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
2-(5-chloro-2-dibenzo-p-dioxin-2-ylphenyl)adamantan-2-ol
CID 168834633
3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
CID 170085615
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803766
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
CID 164819418
2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
CID 168834694
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
3-chloro-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophene
CID 168803759
2-(2-methylphenyl)adamantan-2-ol
CID 14198294

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol?
The IUPAC name of 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol (CID 170085474) is 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol.
What is the SMILES notation for 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol?
The canonical SMILES for 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol is OC1(c2ccc(Cl)cc2-c2ccccc2-c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol?
The InChIKey is HZDPQXPVMQTCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClO/c29-23-10-11-27(28(30)21-13-18-12-19(15-21)16-22(28)14-18)26(17-23)25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-11,17-19,21-22,30H,12-16H2.
What are the key properties of 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol?
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol has a molecular weight of 414.98 g/mol, XLogP of 7.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol is sourced from PubChem (CID 170085474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).