2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol

C22H25ClO — CID 164819418

IUPAC2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CCC(O)(c3cc(Cl)ccc3-c3ccccc3)C(C1)C2
InChIInChI=1S/C22H25ClO/c1-15-11-16-9-10-22(24,18(12-15)13-16)21-14-19(23)7-8-20(21)17-5-3-2-4-6-17/h2-8,14-16,18,24H,9-13H2,1H3
InChIKeyUMUYQQSBFLOEFZ-UHFFFAOYSA-N
MW340.89 g/mol
LogP6.04
Rot. Bonds2

About 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol

2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol (PubChem CID 164819418) has the molecular formula C22H25ClO and a molecular weight of 340.89 g/mol. Its IUPAC name is 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
PubChem CID164819418
Molecular FormulaC22H25ClO
Molecular Weight340.89 g/mol
Exact Mass340.16
IUPAC Name2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CCC(O)(c3cc(Cl)ccc3-c3ccccc3)C(C1)C2
InChIInChI=1S/C22H25ClO/c1-15-11-16-9-10-22(24,18(12-15)13-16)21-14-19(23)7-8-20(21)17-5-3-2-4-6-17/h2-8,14-16,18,24H,9-13H2,1H3
InChIKeyUMUYQQSBFLOEFZ-UHFFFAOYSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.89
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 166808088
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
CID 170085474
4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819571
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
6-chloro-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 58392268
1-(2,5-dichlorophenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756639
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 156573187
N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 164819543
2-(5-chloro-2-dibenzo-p-dioxin-2-ylphenyl)adamantan-2-ol
CID 168834633
7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
CID 164819376
(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
CID 168722463
2-chlorospiro[fluorene-9,7'-tricyclo[4.3.1.03,8]decane]
CID 156577036

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol?
The IUPAC name of 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol (CID 164819418) is 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol is CC1CC2CCC(O)(c3cc(Cl)ccc3-c3ccccc3)C(C1)C2.
What is the InChIKey of 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol?
The InChIKey is UMUYQQSBFLOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClO/c1-15-11-16-9-10-22(24,18(12-15)13-16)21-14-19(23)7-8-20(21)17-5-3-2-4-6-17/h2-8,14-16,18,24H,9-13H2,1H3.
What are the key properties of 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol?
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol has a molecular weight of 340.89 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 164819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).