butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate

C30H30O4 — CID 70018001

IUPACbutyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
SMILESCCCCOC(=O)CCc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C30H30O4/c1-3-4-21-33-29(31)20-11-22-9-15-26(16-10-22)34-30-27-8-6-5-7-23(27)14-19-28(30)24-12-17-25(32-2)18-13-24/h5-10,12-19H,3-4,11,20-21H2,1-2H3
InChIKeyMZVADGPPEXOMQO-UHFFFAOYSA-N
MW454.57 g/mol
LogP7.58
Rot. Bonds10

About butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate

butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate (PubChem CID 70018001) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate.

Molecular Properties

Compound Namebutyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
PubChem CID70018001
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Namebutyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
SMILESCCCCOC(=O)CCc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C30H30O4/c1-3-4-21-33-29(31)20-11-22-9-15-26(16-10-22)34-30-27-8-6-5-7-23(27)14-19-28(30)24-12-17-25(32-2)18-13-24/h5-10,12-19H,3-4,11,20-21H2,1-2H3
InChIKeyMZVADGPPEXOMQO-UHFFFAOYSA-N
XLogP7.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate 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

propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
ethyl 3-[4-[2-(3-fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoate
CID 70017051
1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
CID 70015592
(4-methylphenyl) 4-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butanoate
CID 70016688
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
2-bromoethyl 3-(4-methoxyphenyl)propanoate
CID 10356699
ethyl 3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 10829517
3-(4-methoxyphenyl)propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 11292180
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524

Frequently Asked Questions

What is the IUPAC name of butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The IUPAC name of butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate (CID 70018001) is butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate.
What is the SMILES notation for butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The canonical SMILES for butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate is CCCCOC(=O)CCc1ccc(Oc2c(-c3ccc(OC)cc3)ccc3ccccc23)cc1.
What is the InChIKey of butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
The InChIKey is MZVADGPPEXOMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-3-4-21-33-29(31)20-11-22-9-15-26(16-10-22)34-30-27-8-6-5-7-23(27)14-19-28(30)24-12-17-25(32-2)18-13-24/h5-10,12-19H,3-4,11,20-21H2,1-2H3.
What are the key properties of butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate?
butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate has a molecular weight of 454.57 g/mol, XLogP of 7.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate is sourced from PubChem (CID 70018001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).