4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid

C19H20O4 — CID 171878709

IUPAC4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
SMILESCC1(C)c2ccccc2-c2ccc(C(O)C(O)CC(=O)O)cc21
InChIInChI=1S/C19H20O4/c1-19(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)19)18(23)16(20)10-17(21)22/h3-9,16,18,20,23H,10H2,1-2H3,(H,21,22)
InChIKeyGXDXXYYQKGYDBK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.86
Rot. Bonds4

About 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid

4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid (PubChem CID 171878709) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
PubChem CID171878709
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
SMILESCC1(C)c2ccccc2-c2ccc(C(O)C(O)CC(=O)O)cc21
InChIInChI=1S/C19H20O4/c1-19(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)19)18(23)16(20)10-17(21)22/h3-9,16,18,20,23H,10H2,1-2H3,(H,21,22)
InChIKeyGXDXXYYQKGYDBK-UHFFFAOYSA-N
XLogP2.86
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
CID 171861016
N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171884083
1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891251
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
4-(4-cyano-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877807
3,4-dihydroxy-4-(1-oxo-3H-2-benzofuran-5-yl)butanoic acid
CID 171877867
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
4-(4-amino-3-bromophenyl)-3,4-dihydroxybutanoic acid
CID 171878770
3,4-dihydroxy-4-(1-oxo-2,3-dihydroinden-5-yl)butanoic acid
CID 171877869
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877281
3,4-dihydroxy-4-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanoic acid
CID 171878413

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid (CID 171878709) is 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid is CC1(C)c2ccccc2-c2ccc(C(O)C(O)CC(=O)O)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid?
The InChIKey is GXDXXYYQKGYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-19(2)14-6-4-3-5-12(14)13-8-7-11(9-15(13)19)18(23)16(20)10-17(21)22/h3-9,16,18,20,23H,10H2,1-2H3,(H,21,22).
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid?
4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid has a molecular weight of 312.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171878709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).