4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

C22H23Cl — CID 164819571

IUPAC4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4c(Cl)cccc43)C(C1)C2
InChIInChI=1S/C22H23Cl/c1-14-11-15-9-10-22(16(12-14)13-15)18-6-3-2-5-17(18)21-19(22)7-4-8-20(21)23/h2-8,14-16H,9-13H2,1H3
InChIKeyMFGMHEJFZYCAJO-UHFFFAOYSA-N
MW322.88 g/mol
LogP6.45
Rot. Bonds

About 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (PubChem CID 164819571) has the molecular formula C22H23Cl and a molecular weight of 322.88 g/mol. Its IUPAC name is 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].

Molecular Properties

Compound Name4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
PubChem CID164819571
Molecular FormulaC22H23Cl
Molecular Weight322.88 g/mol
Exact Mass322.15
IUPAC Name4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4c(Cl)cccc43)C(C1)C2
InChIInChI=1S/C22H23Cl/c1-14-11-15-9-10-22(16(12-14)13-15)18-6-3-2-5-17(18)21-19(22)7-4-8-20(21)23/h2-8,14-16H,9-13H2,1H3
InChIKeyMFGMHEJFZYCAJO-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.88
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The IUPAC name of 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (CID 164819571) is 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].
What is the SMILES notation for 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The canonical SMILES for 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is CC1CC2CCC3(c4ccccc4-c4c(Cl)cccc43)C(C1)C2.
What is the InChIKey of 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The InChIKey is MFGMHEJFZYCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl/c1-14-11-15-9-10-22(16(12-14)13-15)18-6-3-2-5-17(18)21-19(22)7-4-8-20(21)23/h2-8,14-16H,9-13H2,1H3.
What are the key properties of 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] has a molecular weight of 322.88 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is sourced from PubChem (CID 164819571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).