2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol

C28H25ClO2 — CID 168834694

IUPAC2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
SMILESOC1(c2ccccc2-c2ccc3oc4c(Cl)cccc4c3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25ClO2/c29-25-7-3-5-22-23-15-18(8-9-26(23)31-27(22)25)21-4-1-2-6-24(21)28(30)19-11-16-10-17(13-19)14-20(28)12-16/h1-9,15-17,19-20,30H,10-14H2
InChIKeyLAFQSIINYUPWHX-UHFFFAOYSA-N
MW428.96 g/mol
LogP7.55
Rot. Bonds2

About 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol

2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol (PubChem CID 168834694) has the molecular formula C28H25ClO2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
PubChem CID168834694
Molecular FormulaC28H25ClO2
Molecular Weight428.96 g/mol
Exact Mass428.15
IUPAC Name2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
SMILESOC1(c2ccccc2-c2ccc3oc4c(Cl)cccc4c3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25ClO2/c29-25-7-3-5-22-23-15-18(8-9-26(23)31-27(22)25)21-4-1-2-6-24(21)28(30)19-11-16-10-17(13-19)14-20(28)12-16/h1-9,15-17,19-20,30H,10-14H2
InChIKeyLAFQSIINYUPWHX-UHFFFAOYSA-N
XLogP7.55
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
CID 168803731
2-[2-(2-chlorophenyl)phenyl]-6-phenyldibenzofuran
CID 177177846
2-(5-chloro-2-dibenzo-p-dioxin-2-ylphenyl)adamantan-2-ol
CID 168834633
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
8'-[8-(3-diphenylphosphorylphenyl)dibenzofuran-4-yl]spiro[adamantane-2,5'-indeno[1,2-b]pyridine]
CID 167268531
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
CID 170085474
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
2-dibenzofuran-2-yl-4-(7'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-4'-yl)-6-dibenzothiophen-2-yl-1,3,5-triazine
CID 168803784
N-(4-phenylphenyl)-N-[4-[3-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-phenylphenyl)-N-[4-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[4-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 163902822
4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803856
2-[4-chloro-2-(5,5-dimethyldibenzothiophen-3-yl)phenyl]adamantan-2-ol
CID 170006689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol?
The IUPAC name of 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol (CID 168834694) is 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol.
What is the SMILES notation for 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol?
The canonical SMILES for 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol is OC1(c2ccccc2-c2ccc3oc4c(Cl)cccc4c3c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol?
The InChIKey is LAFQSIINYUPWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClO2/c29-25-7-3-5-22-23-15-18(8-9-26(23)31-27(22)25)21-4-1-2-6-24(21)28(30)19-11-16-10-17(13-19)14-20(28)12-16/h1-9,15-17,19-20,30H,10-14H2.
What are the key properties of 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol?
2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol has a molecular weight of 428.96 g/mol, XLogP of 7.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol is sourced from PubChem (CID 168834694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).