2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol

C16H15ClFNO2 — CID 114713622

IUPAC2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2ccc(O)c(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C16H15ClFNO2/c1-19-13-8-15(9-2-5-14(20)12(17)6-9)21-16-7-10(18)3-4-11(13)16/h2-7,13,15,19-20H,8H2,1H3
InChIKeyWCNKTXJYZZPKLM-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol

2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 114713622) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID114713622
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESCNC1CC(c2ccc(O)c(Cl)c2)Oc2cc(F)ccc21
InChIInChI=1S/C16H15ClFNO2/c1-19-13-8-15(9-2-5-14(20)12(17)6-9)21-16-7-10(18)3-4-11(13)16/h2-7,13,15,19-20H,8H2,1H3
InChIKeyWCNKTXJYZZPKLM-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The IUPAC name of 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol (CID 114713622) is 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol.
What is the SMILES notation for 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The canonical SMILES for 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is CNC1CC(c2ccc(O)c(Cl)c2)Oc2cc(F)ccc21.
What is the InChIKey of 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
The InChIKey is WCNKTXJYZZPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-19-13-8-15(9-2-5-14(20)12(17)6-9)21-16-7-10(18)3-4-11(13)16/h2-7,13,15,19-20H,8H2,1H3.
What are the key properties of 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol?
2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol has a molecular weight of 307.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[7-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 114713622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).