7-decoxy-9H-fluorene-2-carboxylic acid

C24H30O3 — CID 22153912

IUPAC7-decoxy-9H-fluorene-2-carboxylic acid
SMILESCCCCCCCCCCOc1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C24H30O3/c1-2-3-4-5-6-7-8-9-14-27-21-11-13-23-20(17-21)16-19-15-18(24(25)26)10-12-22(19)23/h10-13,15,17H,2-9,14,16H2,1H3,(H,25,26)
InChIKeyGILRCPLNYHHYJM-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.48
Rot. Bonds11

About 7-decoxy-9H-fluorene-2-carboxylic acid

7-decoxy-9H-fluorene-2-carboxylic acid (PubChem CID 22153912) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 7-decoxy-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name7-decoxy-9H-fluorene-2-carboxylic acid
PubChem CID22153912
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name7-decoxy-9H-fluorene-2-carboxylic acid
SMILESCCCCCCCCCCOc1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2
InChIInChI=1S/C24H30O3/c1-2-3-4-5-6-7-8-9-14-27-21-11-13-23-20(17-21)16-19-15-18(24(25)26)10-12-22(19)23/h10-13,15,17H,2-9,14,16H2,1H3,(H,25,26)
InChIKeyGILRCPLNYHHYJM-UHFFFAOYSA-N
XLogP6.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-decoxy-9H-fluorene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 7-heptoxy-9H-fluorene-2-carboxylate
CID 69416296
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
[4-(2-methylbutoxy)phenyl] 7-nonoxy-9H-fluorene-2-carboxylate
CID 67864070
[4-(2-methylbutoxy)phenyl] 7-undecoxy-9H-fluorene-2-carboxylate
CID 67863723
4-[2-(4-nonoxyphenyl)-4-octoxyphenyl]benzoic acid
CID 67789630
3-(4-hexoxyphenyl)-4-(4-octoxyphenyl)benzoic acid
CID 154106554
ethane;4-octoxybenzoic acid
CID 144740890
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
4-(4-octadecoxyphenoxy)carbonylbenzoic acid
CID 91941131
4-(4-heptoxybenzoyl)oxybenzoic acid
CID 14872348
5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 23527521
1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one
CID 100997247

Frequently Asked Questions

What is the IUPAC name of 7-decoxy-9H-fluorene-2-carboxylic acid?
The IUPAC name of 7-decoxy-9H-fluorene-2-carboxylic acid (CID 22153912) is 7-decoxy-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 7-decoxy-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 7-decoxy-9H-fluorene-2-carboxylic acid is CCCCCCCCCCOc1ccc2c(c1)Cc1cc(C(=O)O)ccc1-2.
What is the InChIKey of 7-decoxy-9H-fluorene-2-carboxylic acid?
The InChIKey is GILRCPLNYHHYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c1-2-3-4-5-6-7-8-9-14-27-21-11-13-23-20(17-21)16-19-15-18(24(25)26)10-12-22(19)23/h10-13,15,17H,2-9,14,16H2,1H3,(H,25,26).
What are the key properties of 7-decoxy-9H-fluorene-2-carboxylic acid?
7-decoxy-9H-fluorene-2-carboxylic acid has a molecular weight of 366.50 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-decoxy-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 22153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).