2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol

C33H46O2 — CID 139824935

IUPAC2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CC(C2(C3CCC(O)C(C(C)(C)C)C3)c3ccccc3-c3ccccc32)CCC1O
InChIInChI=1S/C33H46O2/c1-31(2,3)27-19-21(15-17-29(27)34)33(22-16-18-30(35)28(20-22)32(4,5)6)25-13-9-7-11-23(25)24-12-8-10-14-26(24)33/h7-14,21-22,27-30,34-35H,15-20H2,1-6H3
InChIKeyDQUCMJPOUAXHIS-UHFFFAOYSA-N
MW474.73 g/mol
LogP7.60
Rot. Bonds2

About 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol

2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol (PubChem CID 139824935) has the molecular formula C33H46O2 and a molecular weight of 474.73 g/mol. Its IUPAC name is 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
PubChem CID139824935
Molecular FormulaC33H46O2
Molecular Weight474.73 g/mol
Exact Mass474.35
IUPAC Name2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CC(C2(C3CCC(O)C(C(C)(C)C)C3)c3ccccc3-c3ccccc32)CCC1O
InChIInChI=1S/C33H46O2/c1-31(2,3)27-19-21(15-17-29(27)34)33(22-16-18-30(35)28(20-22)32(4,5)6)25-13-9-7-11-23(25)24-12-8-10-14-26(24)33/h7-14,21-22,27-30,34-35H,15-20H2,1-6H3
InChIKeyDQUCMJPOUAXHIS-UHFFFAOYSA-N
XLogP7.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol (CID 139824935) is 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol is CC(C)(C)C1CC(C2(C3CCC(O)C(C(C)(C)C)C3)c3ccccc3-c3ccccc32)CCC1O.
What is the InChIKey of 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol?
The InChIKey is DQUCMJPOUAXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46O2/c1-31(2,3)27-19-21(15-17-29(27)34)33(22-16-18-30(35)28(20-22)32(4,5)6)25-13-9-7-11-23(25)24-12-8-10-14-26(24)33/h7-14,21-22,27-30,34-35H,15-20H2,1-6H3.
What are the key properties of 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol?
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol has a molecular weight of 474.73 g/mol, XLogP of 7.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol is sourced from PubChem (CID 139824935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).