(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone

C22H23NO4 — CID 145288709

IUPAC(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone
SMILESCC1(C)c2cc(C(=O)C3(O)CCCCC3)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C22H23NO4/c1-21(2)18-12-14(20(24)22(25)10-4-3-5-11-22)6-8-16(18)17-9-7-15(23(26)27)13-19(17)21/h6-9,12-13,25H,3-5,10-11H2,1-2H3
InChIKeyOIOZUCPTKHARQM-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.78
Rot. Bonds3

About (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone

(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone (PubChem CID 145288709) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone
PubChem CID145288709
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone
SMILESCC1(C)c2cc(C(=O)C3(O)CCCCC3)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C22H23NO4/c1-21(2)18-12-14(20(24)22(25)10-4-3-5-11-22)6-8-16(18)17-9-7-15(23(26)27)13-19(17)21/h6-9,12-13,25H,3-5,10-11H2,1-2H3
InChIKeyOIOZUCPTKHARQM-UHFFFAOYSA-N
XLogP4.78
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
[(Z)-[(9,9-dimethyl-7-nitrofluoren-2-yl)-(4-ethylcyclohexyl)methylidene]amino] 3-cyclopentylpropanoate
CID 145288716
[[(9,9-dimethyl-7-nitrofluoren-2-yl)-phenylmethyl]amino] acetate
CID 147465082
9,9-bis[[4-(1-hydroxycyclohexanecarbonyl)phenyl]methyl]fluorene-2-carboxylic acid
CID 163702231
3-chloro-1-(7-nitro-9,9-dipropylfluoren-2-yl)propan-1-one
CID 145412519
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]prop-2-en-1-one
CID 59017569
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
CID 132989920
CID 132989920
[(Z)-[(9,9-dimethyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] 2-phenylacetate
CID 144596766
4-[(E)-2-(9,9-dimethyl-7-nitrofluoren-2-yl)ethenyl]-N,N-dimethylaniline
CID 46918435
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
bis[2-(1-methylcyclopropyl)-4-nitrophenyl] carbonate
CID 141323190

Frequently Asked Questions

What is the IUPAC name of (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone?
The IUPAC name of (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone (CID 145288709) is (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone is CC1(C)c2cc(C(=O)C3(O)CCCCC3)ccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone?
The InChIKey is OIOZUCPTKHARQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-21(2)18-12-14(20(24)22(25)10-4-3-5-11-22)6-8-16(18)17-9-7-15(23(26)27)13-19(17)21/h6-9,12-13,25H,3-5,10-11H2,1-2H3.
What are the key properties of (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone?
(9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone has a molecular weight of 365.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-7-nitrofluoren-2-yl)-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 145288709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).