3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene

C21H20O2 — CID 3717788

IUPAC3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
SMILESCCOC1CC(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C21H20O2/c1-2-22-20-14-18(15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)12-13-19(21)23-20/h3-13,18,20H,2,14H2,1H3
InChIKeyLZEWHBSZZBVZDZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.12
Rot. Bonds3

About 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene

3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene (PubChem CID 3717788) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene.

Molecular Properties

Compound Name3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
PubChem CID3717788
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene
SMILESCCOC1CC(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C21H20O2/c1-2-22-20-14-18(15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)12-13-19(21)23-20/h3-13,18,20H,2,14H2,1H3
InChIKeyLZEWHBSZZBVZDZ-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene 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

1-phenyl-2,3-dihydro-1H-benzo[f]chromen-3-ol
CID 14316337
(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 102263224
(13R,15R)-13,15-diphenyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 11733511
(1S,3R)-2-hydroxy-3-methyl-1-phenyl-1,3-dihydrobenzo[f][1,3]benzoxazine
CID 98199618
[(1S,2S)-2-acetyloxy-1,2-dihydrobenzo[e][1]benzofuran-1-yl] acetate
CID 10085367
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
CID 73001495
1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
CID 82047282
(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
CID 164677123
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
CID 24807051
(2S,3R)-3-ethoxy-2-phenyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine
CID 23262025

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene?
The IUPAC name of 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene (CID 3717788) is 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene.
What is the SMILES notation for 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene?
The canonical SMILES for 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene is CCOC1CC(c2ccccc2)c2c(ccc3ccccc23)O1.
What is the InChIKey of 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene?
The InChIKey is LZEWHBSZZBVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-2-22-20-14-18(15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)12-13-19(21)23-20/h3-13,18,20H,2,14H2,1H3.
What are the key properties of 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene?
3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene has a molecular weight of 304.39 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenyl-2,3-dihydro-1H-benzo[f]chromene is sourced from PubChem (CID 3717788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).