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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
CID 139824851
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
(9,9-dicyclopentylfluoren-2-yl)boronic acid
CID 86036873
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
CID 153440114
2-chlorospiro[fluorene-9,7'-tricyclo[4.3.1.03,8]decane]
CID 156577036
N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 155041617
16-tert-butylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
CID 11483855
2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]
CID 155393697
4,4,5,5-tetramethyl-2-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,2-dioxaborolane
CID 164819128
12-(4-tert-butylphenyl)spiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,2'-adamantane]
CID 164819378
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
8,14-di(spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-3'-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171720423

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).