(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate

C21H15ClO3 — CID 1305490

IUPAC(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15ClO3/c22-19-12-6-1-7-14(19)13-25-20(23)21(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,24H,13H2
InChIKeyMLGBSBFQKPXPCC-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.30
Rot. Bonds3

About (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate

(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate (PubChem CID 1305490) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate
PubChem CID1305490
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Name(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate
SMILESO=C(OCc1ccccc1Cl)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15ClO3/c22-19-12-6-1-7-14(19)13-25-20(23)21(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,24H,13H2
InChIKeyMLGBSBFQKPXPCC-UHFFFAOYSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate 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

Chlorflurenol
CID 17169
Chlorflurenol methyl
CID 17334
Flurenol-butyl
CID 40816
Dichlorflurenol-methyl
CID 619330
Ethyl 9-hydroxyfluorene-9-carboxylate
CID 239080
Dichlorflurenol
CID 3084359
2-Chloro-9-hydroxy-1-methylfluorene-9-carboxylic acid
CID 70513529
2-[4-Chloro-2-fluoro-9-(trifluoromethyl)fluoren-9-yl]oxybutanoic acid
CID 117599229
Chlorflurenol, butyl ester
CID 45357319
Methyl 2,4-dichloro-9-hydroxyfluorene-9-carboxylate
CID 151597
(2-Chloro-6-fluorophenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 4781979
9H-fluoren-9-yl 2-(2-chloro-6-fluorophenyl)acetate
CID 7718279

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate (CID 1305490) is (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate is O=C(OCc1ccccc1Cl)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate?
The InChIKey is MLGBSBFQKPXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-19-12-6-1-7-14(19)13-25-20(23)21(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,24H,13H2.
What are the key properties of (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate?
(2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate has a molecular weight of 350.80 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 9-hydroxyfluorene-9-carboxylate is sourced from PubChem (CID 1305490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).