6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene

C20H24O — CID 126760659

IUPAC6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
SMILESCCC(CC)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H24O/c1-3-15(4-2)16-7-9-17(10-8-16)18-11-12-20-19(14-18)6-5-13-21-20/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyWCGUHVBUNNUJOU-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.58
Rot. Bonds4

About 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene

6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene (PubChem CID 126760659) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
PubChem CID126760659
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
SMILESCCC(CC)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H24O/c1-3-15(4-2)16-7-9-17(10-8-16)18-11-12-20-19(14-18)6-5-13-21-20/h7-12,14-15H,3-6,13H2,1-2H3
InChIKeyWCGUHVBUNNUJOU-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-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

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine
CID 61032927
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040

Frequently Asked Questions

What is the IUPAC name of 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene (CID 126760659) is 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene is CCC(CC)c1ccc(-c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is WCGUHVBUNNUJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-3-15(4-2)16-7-9-17(10-8-16)18-11-12-20-19(14-18)6-5-13-21-20/h7-12,14-15H,3-6,13H2,1-2H3.
What are the key properties of 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene?
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 280.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 126760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).