(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone

C22H28O4 — CID 135325812

IUPAC(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(OCCC)cc(OCCC)c2)cc1
InChIInChI=1S/C22H28O4/c1-4-11-24-19-9-7-17(8-10-19)22(23)18-14-20(25-12-5-2)16-21(15-18)26-13-6-3/h7-10,14-16H,4-6,11-13H2,1-3H3
InChIKeyAWOYZPZQWIKWBA-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.28
Rot. Bonds11

About (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone

(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone (PubChem CID 135325812) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
PubChem CID135325812
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(OCCC)cc(OCCC)c2)cc1
InChIInChI=1S/C22H28O4/c1-4-11-24-19-9-7-17(8-10-19)22(23)18-14-20(25-12-5-2)16-21(15-18)26-13-6-3/h7-10,14-16H,4-6,11-13H2,1-3H3
InChIKeyAWOYZPZQWIKWBA-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone 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

(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
CID 82266633
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223

Frequently Asked Questions

What is the IUPAC name of (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone (CID 135325812) is (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cc(OCCC)cc(OCCC)c2)cc1.
What is the InChIKey of (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone?
The InChIKey is AWOYZPZQWIKWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-4-11-24-19-9-7-17(8-10-19)22(23)18-14-20(25-12-5-2)16-21(15-18)26-13-6-3/h7-10,14-16H,4-6,11-13H2,1-3H3.
What are the key properties of (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone?
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone has a molecular weight of 356.46 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 135325812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).