2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene

C20H21ClF2O — CID 58660777

IUPAC2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene
SMILESCCCCCc1ccc2c(c1)CC(F)(F)C(c1ccc(Cl)cc1)O2
InChIInChI=1S/C20H21ClF2O/c1-2-3-4-5-14-6-11-18-16(12-14)13-20(22,23)19(24-18)15-7-9-17(21)10-8-15/h6-12,19H,2-5,13H2,1H3
InChIKeyTZGVUKRLIBDRHJ-UHFFFAOYSA-N
MW350.84 g/mol
LogP6.38
Rot. Bonds5

About 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene

2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene (PubChem CID 58660777) has the molecular formula C20H21ClF2O and a molecular weight of 350.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene
PubChem CID58660777
Molecular FormulaC20H21ClF2O
Molecular Weight350.84 g/mol
Exact Mass350.12
IUPAC Name2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene
SMILESCCCCCc1ccc2c(c1)CC(F)(F)C(c1ccc(Cl)cc1)O2
InChIInChI=1S/C20H21ClF2O/c1-2-3-4-5-14-6-11-18-16(12-14)13-20(22,23)19(24-18)15-7-9-17(21)10-8-15/h6-12,19H,2-5,13H2,1H3
InChIKeyTZGVUKRLIBDRHJ-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.84
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene 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

CID 126331
CID 126331
CID 5272631
CID 5272631
CID 45268104
CID 45268104
CID 45268973
CID 45268973
CID 45268974
CID 45268974
CID 45268978
CID 45268978
CID 45272387
CID 45272387
CID 52941811
CID 52941811
CID 137640366
CID 137640366
CID 137654412
CID 137654412
CID 45269837
CID 45269837
CID 45270658
CID 45270658

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene?
The IUPAC name of 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene (CID 58660777) is 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene.
What is the SMILES notation for 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene?
The canonical SMILES for 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene is CCCCCc1ccc2c(c1)CC(F)(F)C(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene?
The InChIKey is TZGVUKRLIBDRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2O/c1-2-3-4-5-14-6-11-18-16(12-14)13-20(22,23)19(24-18)15-7-9-17(21)10-8-15/h6-12,19H,2-5,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene?
2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene has a molecular weight of 350.84 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,3-difluoro-6-pentyl-2,4-dihydrochromene is sourced from PubChem (CID 58660777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).