6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid

C19H19FO4 — CID 163392785

IUPAC6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C19H19FO4/c20-15-5-7-16(8-6-15)23-11-1-2-13-3-9-17-14(12-13)4-10-18(24-17)19(21)22/h3,5-9,12,18H,1-2,4,10-11H2,(H,21,22)
InChIKeyOBMKYYKLSXUCTN-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.62
Rot. Bonds6

About 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid

6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 163392785) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID163392785
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(O)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C19H19FO4/c20-15-5-7-16(8-6-15)23-11-1-2-13-3-9-17-14(12-13)4-10-18(24-17)19(21)22/h3,5-9,12,18H,1-2,4,10-11H2,(H,21,22)
InChIKeyOBMKYYKLSXUCTN-UHFFFAOYSA-N
XLogP3.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-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

6-[3-(4-fluorophenoxy)propyl]-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392692
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
CID 69467319
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
CID 86952371
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
methyl 6-[3-(oxan-2-yloxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392743
ethyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 71249243
ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 143613113
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
7-[5-(4-acetyl-3-hydroxyphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 14329756
prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 68654698
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 163392785) is 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(O)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1.
What is the InChIKey of 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is OBMKYYKLSXUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c20-15-5-7-16(8-6-15)23-11-1-2-13-3-9-17-14(12-13)4-10-18(24-17)19(21)22/h3,5-9,12,18H,1-2,4,10-11H2,(H,21,22).
What are the key properties of 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid?
6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 163392785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).