9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid

C17H16O3 — CID 91104459

IUPAC9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid
SMILESCOCC1(C)c2ccccc2-c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H16O3/c1-17(10-20-2)14-6-4-3-5-12(14)13-8-7-11(16(18)19)9-15(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMSIAMAGSDJUHHL-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.32
Rot. Bonds3

About 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid

9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid (PubChem CID 91104459) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid
PubChem CID91104459
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid
SMILESCOCC1(C)c2ccccc2-c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H16O3/c1-17(10-20-2)14-6-4-3-5-12(14)13-8-7-11(16(18)19)9-15(13)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMSIAMAGSDJUHHL-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-bis(2-phenylmethoxyethyl)fluorene-2-carboxylic acid
CID 86067047
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
N-(diaminomethylidene)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
CID 118717216
9,9-difluorofluorene-2,7-dicarboxylic acid
CID 11140816
9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid
CID 23151723
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
(1E)-3,3-dimethyl-1-(2-oxo-1H-indol-3-ylidene)-2-benzofuran-5-carboxylic acid
CID 58586242
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid?
The IUPAC name of 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid (CID 91104459) is 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid.
What is the SMILES notation for 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid?
The canonical SMILES for 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid is COCC1(C)c2ccccc2-c2ccc(C(=O)O)cc21.
What is the InChIKey of 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid?
The InChIKey is MSIAMAGSDJUHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-17(10-20-2)14-6-4-3-5-12(14)13-8-7-11(16(18)19)9-15(13)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid?
9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-9-methylfluorene-2-carboxylic acid is sourced from PubChem (CID 91104459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).