4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen

C21H18O4 — CID 175028589

IUPAC4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
SMILESO=C(O)c1ccc(-c2cccc3c2Cc2ccccc2-3)cc1C(=O)O.[H][H].[H][H]
InChIInChI=1S/C21H14O4.2H2/c22-20(23)17-9-8-13(11-19(17)21(24)25)15-6-3-7-16-14-5-2-1-4-12(14)10-18(15)16;;/h1-9,11H,10H2,(H,22,23)(H,24,25);2*1H
InChIKeyALURUITVRGXLIO-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.81
Rot. Bonds3

About 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen

4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen (PubChem CID 175028589) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
PubChem CID175028589
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
SMILESO=C(O)c1ccc(-c2cccc3c2Cc2ccccc2-3)cc1C(=O)O.[H][H].[H][H]
InChIInChI=1S/C21H14O4.2H2/c22-20(23)17-9-8-13(11-19(17)21(24)25)15-6-3-7-16-14-5-2-1-4-12(14)10-18(15)16;;/h1-9,11H,10H2,(H,22,23)(H,24,25);2*1H
InChIKeyALURUITVRGXLIO-UHFFFAOYSA-N
XLogP4.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
1-[5-(9H-fluoren-1-yl)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
CID 175026134
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
[4-(9H-fluoren-1-yl)-2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 158373283
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
2-(9H-fluoren-1-yl)anthracene
CID 151119003
2-(3-amino-9H-fluoren-1-yl)benzoic acid
CID 151110814
9H-fluorene-1-carboxamide
CID 18474131
4-(2-fluorophenyl)phthalic acid
CID 71119653
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
6-(9H-fluoren-1-yl)pyridine-2-carboxylic acid
CID 150263501

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen?
The IUPAC name of 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen (CID 175028589) is 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen.
What is the SMILES notation for 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen?
The canonical SMILES for 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen is O=C(O)c1ccc(-c2cccc3c2Cc2ccccc2-3)cc1C(=O)O.[H][H].[H][H].
What is the InChIKey of 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen?
The InChIKey is ALURUITVRGXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O4.2H2/c22-20(23)17-9-8-13(11-19(17)21(24)25)15-6-3-7-16-14-5-2-1-4-12(14)10-18(15)16;;/h1-9,11H,10H2,(H,22,23)(H,24,25);2*1H.
What are the key properties of 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen?
4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen has a molecular weight of 334.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen is sourced from PubChem (CID 175028589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).