cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone

C29H34O3 — CID 145330747

IUPACcyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone
SMILESCC1(C)c2cc(C(=O)C3CCCCC3)ccc2-c2ccc(C(=O)C3(O)CCCCC3)cc21
InChIInChI=1S/C29H34O3/c1-28(2)24-17-20(26(30)19-9-5-3-6-10-19)11-13-22(24)23-14-12-21(18-25(23)28)27(31)29(32)15-7-4-8-16-29/h11-14,17-19,32H,3-10,15-16H2,1-2H3
InChIKeyVMQGYMUQVMUGTH-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.63
Rot. Bonds4

About cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone

cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone (PubChem CID 145330747) has the molecular formula C29H34O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone
PubChem CID145330747
Molecular FormulaC29H34O3
Molecular Weight430.59 g/mol
Exact Mass430.25
IUPAC Namecyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone
SMILESCC1(C)c2cc(C(=O)C3CCCCC3)ccc2-c2ccc(C(=O)C3(O)CCCCC3)cc21
InChIInChI=1S/C29H34O3/c1-28(2)24-17-20(26(30)19-9-5-3-6-10-19)11-13-22(24)23-14-12-21(18-25(23)28)27(31)29(32)15-7-4-8-16-29/h11-14,17-19,32H,3-10,15-16H2,1-2H3
InChIKeyVMQGYMUQVMUGTH-UHFFFAOYSA-N
XLogP6.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone?
The IUPAC name of cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone (CID 145330747) is cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone?
The canonical SMILES for cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone is CC1(C)c2cc(C(=O)C3CCCCC3)ccc2-c2ccc(C(=O)C3(O)CCCCC3)cc21.
What is the InChIKey of cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone?
The InChIKey is VMQGYMUQVMUGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O3/c1-28(2)24-17-20(26(30)19-9-5-3-6-10-19)11-13-22(24)23-14-12-21(18-25(23)28)27(31)29(32)15-7-4-8-16-29/h11-14,17-19,32H,3-10,15-16H2,1-2H3.
What are the key properties of cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone?
cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone has a molecular weight of 430.59 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone is sourced from PubChem (CID 145330747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).