1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid

C23H24O4 — CID 161453586

IUPAC1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24O4/c24-21(14-23(22(25)26)12-6-1-7-13-23)27-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,26)
InChIKeyWAVWGFUUMULGSO-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.77
Rot. Bonds5

About 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 161453586) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID161453586
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24O4/c24-21(14-23(22(25)26)12-6-1-7-13-23)27-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,26)
InChIKeyWAVWGFUUMULGSO-UHFFFAOYSA-N
XLogP4.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
CID 162244816
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 123893552
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 161453586) is 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is WAVWGFUUMULGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c24-21(14-23(22(25)26)12-6-1-7-13-23)27-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,26).
What are the key properties of 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 161453586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).