[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate

C23H30O4 — CID 146481361

IUPAC[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
SMILESCCCC(=O)OC(C)C(Cc1cccc(OC)c1)Cc1cccc(OC)c1
InChIInChI=1S/C23H30O4/c1-5-8-23(24)27-17(2)20(13-18-9-6-11-21(15-18)25-3)14-19-10-7-12-22(16-19)26-4/h6-7,9-12,15-17,20H,5,8,13-14H2,1-4H3
InChIKeyPHUPDIVWPAIUIW-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.84
Rot. Bonds10

About [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate

[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate (PubChem CID 146481361) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
PubChem CID146481361
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
SMILESCCCC(=O)OC(C)C(Cc1cccc(OC)c1)Cc1cccc(OC)c1
InChIInChI=1S/C23H30O4/c1-5-8-23(24)27-17(2)20(13-18-9-6-11-21(15-18)25-3)14-19-10-7-12-22(16-19)26-4/h6-7,9-12,15-17,20H,5,8,13-14H2,1-4H3
InChIKeyPHUPDIVWPAIUIW-UHFFFAOYSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
[3-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 46007143
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
3-butan-2-yloxy-2-[(3-methoxyphenyl)methyl]-3-oxopropanoic acid
CID 67491904
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate?
The IUPAC name of [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate (CID 146481361) is [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate.
What is the SMILES notation for [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate?
The canonical SMILES for [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate is CCCC(=O)OC(C)C(Cc1cccc(OC)c1)Cc1cccc(OC)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate?
The InChIKey is PHUPDIVWPAIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O4/c1-5-8-23(24)27-17(2)20(13-18-9-6-11-21(15-18)25-3)14-19-10-7-12-22(16-19)26-4/h6-7,9-12,15-17,20H,5,8,13-14H2,1-4H3.
What are the key properties of [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate?
[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate has a molecular weight of 370.49 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate is sourced from PubChem (CID 146481361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).