methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate

C24H30O4 — CID 10452492

IUPACmethyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Cc2cccc(CCCOC3CCCCO3)c2)c1
InChIInChI=1S/C24H30O4/c1-26-23(25)18-22-10-5-9-21(17-22)16-20-8-4-7-19(15-20)11-6-14-28-24-12-2-3-13-27-24/h4-5,7-10,15,17,24H,2-3,6,11-14,16,18H2,1H3
InChIKeyUJEFXDGFOXFHIH-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.47
Rot. Bonds9

About methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate

methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate (PubChem CID 10452492) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
PubChem CID10452492
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namemethyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(Cc2cccc(CCCOC3CCCCO3)c2)c1
InChIInChI=1S/C24H30O4/c1-26-23(25)18-22-10-5-9-21(17-22)16-20-8-4-7-19(15-20)11-6-14-28-24-12-2-3-13-27-24/h4-5,7-10,15,17,24H,2-3,6,11-14,16,18H2,1H3
InChIKeyUJEFXDGFOXFHIH-UHFFFAOYSA-N
XLogP4.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-2-[3-[3-(oxan-2-yloxy)propyl]phenyl]ethenyl]benzoate
CID 10022678
CID 71106654
CID 71106654
methyl 6-[3-(oxan-2-yloxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392743
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 157088552
(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
CID 11723415
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(E)-6-[3-[3-(oxan-2-yloxy)propyl]phenyl]hex-5-enoic acid
CID 10042403
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
CID 86757618
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate (CID 10452492) is methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate is COC(=O)Cc1cccc(Cc2cccc(CCCOC3CCCCO3)c2)c1.
What is the InChIKey of methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate?
The InChIKey is UJEFXDGFOXFHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-26-23(25)18-22-10-5-9-21(17-22)16-20-8-4-7-19(15-20)11-6-14-28-24-12-2-3-13-27-24/h4-5,7-10,15,17,24H,2-3,6,11-14,16,18H2,1H3.
What are the key properties of methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate?
methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate has a molecular weight of 382.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate is sourced from PubChem (CID 10452492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).