2-(4-butylphenyl)chromen-4-one

C19H18O2 — CID 154714273

IUPAC2-(4-butylphenyl)chromen-4-one
SMILESCCCCc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H18O2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3
InChIKeyHJPPHTBVYBTGTQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-butylphenyl)chromen-4-one

2-(4-butylphenyl)chromen-4-one (PubChem CID 154714273) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-butylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-butylphenyl)chromen-4-one
PubChem CID154714273
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(4-butylphenyl)chromen-4-one
SMILESCCCCc1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H18O2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3
InChIKeyHJPPHTBVYBTGTQ-UHFFFAOYSA-N
XLogP4.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-butylphenyl)chromen-4-one 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

2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
6-ethyl-2-phenylchromen-4-one
CID 10999458
2-(4-acetylphenyl)chromen-4-one
CID 66553887
9-butylbenzo[c]chromen-6-one
CID 102375140
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
CID 159796273
CID 159796273
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(2-methylphenyl)chromen-4-one
CID 776385
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)chromen-4-one?
The IUPAC name of 2-(4-butylphenyl)chromen-4-one (CID 154714273) is 2-(4-butylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-butylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-butylphenyl)chromen-4-one is CCCCc1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-butylphenyl)chromen-4-one?
The InChIKey is HJPPHTBVYBTGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3.
What are the key properties of 2-(4-butylphenyl)chromen-4-one?
2-(4-butylphenyl)chromen-4-one has a molecular weight of 278.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)chromen-4-one is sourced from PubChem (CID 154714273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).