(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol

C19H25ClO — CID 92533358

IUPAC(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol
SMILESOC1(c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C19H25ClO/c20-14-11-9-13(10-12-14)19(21)17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h9-12,15-18,21H,1-8H2/t15-,16+,17-,18-,19?/m0/s1
InChIKeyJURZIEQMPUPRTR-YMNIQUSHSA-N
MW304.86 g/mol
LogP5.15
Rot. Bonds1

About (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol

(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol (PubChem CID 92533358) has the molecular formula C19H25ClO and a molecular weight of 304.86 g/mol. Its IUPAC name is (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol.

Molecular Properties

Compound Name(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol
PubChem CID92533358
Molecular FormulaC19H25ClO
Molecular Weight304.86 g/mol
Exact Mass304.16
IUPAC Name(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol
SMILESOC1(c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C19H25ClO/c20-14-11-9-13(10-12-14)19(21)17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h9-12,15-18,21H,1-8H2/t15-,16+,17-,18-,19?/m0/s1
InChIKeyJURZIEQMPUPRTR-YMNIQUSHSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.86
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol?
The IUPAC name of (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol (CID 92533358) is (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol.
What is the SMILES notation for (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol?
The canonical SMILES for (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol is OC1(c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]21.
What is the InChIKey of (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol?
The InChIKey is JURZIEQMPUPRTR-YMNIQUSHSA-N. The full InChI is InChI=1S/C19H25ClO/c20-14-11-9-13(10-12-14)19(21)17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h9-12,15-18,21H,1-8H2/t15-,16+,17-,18-,19?/m0/s1.
What are the key properties of (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol?
(4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol has a molecular weight of 304.86 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bS,8aS,9aS)-9-(4-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol is sourced from PubChem (CID 92533358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).