(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol

C13H16O — CID 129388444

IUPAC(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
SMILESOc1ccc2c(c1)C[C@H]1CCCC[C@H]21
InChIInChI=1S/C13H16O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h5-6,8-9,12,14H,1-4,7H2/t9-,12+/m1/s1
InChIKeyNSCCCRCGJBJLOR-SKDRFNHKSA-N
MW188.27 g/mol
LogP3.22
Rot. Bonds

About (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol

(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol (PubChem CID 129388444) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol.

Molecular Properties

Compound Name(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
PubChem CID129388444
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
SMILESOc1ccc2c(c1)C[C@H]1CCCC[C@H]21
InChIInChI=1S/C13H16O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h5-6,8-9,12,14H,1-4,7H2/t9-,12+/m1/s1
InChIKeyNSCCCRCGJBJLOR-SKDRFNHKSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol with MolForge

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Related Compounds

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4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol
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Frequently Asked Questions

What is the IUPAC name of (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol?
The IUPAC name of (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol (CID 129388444) is (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol.
What is the SMILES notation for (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol?
The canonical SMILES for (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol is Oc1ccc2c(c1)C[C@H]1CCCC[C@H]21.
What is the InChIKey of (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol?
The InChIKey is NSCCCRCGJBJLOR-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H16O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h5-6,8-9,12,14H,1-4,7H2/t9-,12+/m1/s1.
What are the key properties of (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol?
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol has a molecular weight of 188.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol is sourced from PubChem (CID 129388444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).