2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol

C16H28O — CID 70031928

IUPAC2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
SMILESCC(C)(O)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C16H28O/c1-16(2,17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h11-15,17H,3-10H2,1-2H3
InChIKeyNZFZKAKFTYBVBN-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds1

About 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol

2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol (PubChem CID 70031928) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
PubChem CID70031928
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
SMILESCC(C)(O)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C16H28O/c1-16(2,17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h11-15,17H,3-10H2,1-2H3
InChIKeyNZFZKAKFTYBVBN-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol with MolForge

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Related Compounds

2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
CID 118231680
2-cyclononadecylpropan-2-ol
CID 126587376
2-cyclooctylpropan-2-ol
CID 27966
2-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]propan-2-ol
CID 11991877
2,2-dimethylpropane;ethane;9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91032407
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
2-cyclohexylpropan-2-ol;methanamine
CID 155735582
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
cyclopentanol;2-methylpropan-2-ol
CID 175069289

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol?
The IUPAC name of 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol (CID 70031928) is 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol.
What is the SMILES notation for 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol?
The canonical SMILES for 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol is CC(C)(O)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol?
The InChIKey is NZFZKAKFTYBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-16(2,17)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol?
2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol is sourced from PubChem (CID 70031928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).