4-(9H-fluoren-9-yl)benzoic acid

C20H14O2 — CID 10085388

IUPAC4-(9H-fluoren-9-yl)benzoic acid
SMILESO=C(O)c1ccc(C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H14O2/c21-20(22)14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,21,22)
InChIKeyUVCWPOWWMRWNQQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.55
Rot. Bonds2

About 4-(9H-fluoren-9-yl)benzoic acid

4-(9H-fluoren-9-yl)benzoic acid (PubChem CID 10085388) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)benzoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)benzoic acid
PubChem CID10085388
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name4-(9H-fluoren-9-yl)benzoic acid
SMILESO=C(O)c1ccc(C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H14O2/c21-20(22)14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,21,22)
InChIKeyUVCWPOWWMRWNQQ-UHFFFAOYSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bexarotene
CID 82146
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
Arotinoid acid
CID 5289501
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
2-Naphthoic acid
CID 7123
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2,6-Naphthalenedicarboxylic acid
CID 14357
(1,1'-Biphenyl)-4,4'-dicarboxylic acid
CID 13084
4'-(Trifluoromethyl)(1,1'-biphenyl)-2-carboxylic acid
CID 55251
AC55649
CID 1714884
4-(4-Fluorophenyl)benzoic acid
CID 2782689

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)benzoic acid?
The IUPAC name of 4-(9H-fluoren-9-yl)benzoic acid (CID 10085388) is 4-(9H-fluoren-9-yl)benzoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-yl)benzoic acid?
The canonical SMILES for 4-(9H-fluoren-9-yl)benzoic acid is O=C(O)c1ccc(C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-(9H-fluoren-9-yl)benzoic acid?
The InChIKey is UVCWPOWWMRWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-20(22)14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H,21,22).
What are the key properties of 4-(9H-fluoren-9-yl)benzoic acid?
4-(9H-fluoren-9-yl)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)benzoic acid is sourced from PubChem (CID 10085388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).