methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate

C25H26O4 — CID 10596554

IUPACmethyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(C)C)cc2)cc1OCc1ccccc1
InChIInChI=1S/C25H26O4/c1-18(2)21-11-9-20(10-12-21)16-28-22-13-14-23(25(26)27-3)24(15-22)29-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
InChIKeyNPVKTJONTXMMGM-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.75
Rot. Bonds8

About methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate

methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate (PubChem CID 10596554) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
PubChem CID10596554
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Namemethyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(C)C)cc2)cc1OCc1ccccc1
InChIInChI=1S/C25H26O4/c1-18(2)21-11-9-20(10-12-21)16-28-22-13-14-23(25(26)27-3)24(15-22)29-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
InChIKeyNPVKTJONTXMMGM-UHFFFAOYSA-N
XLogP5.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-phenylmethoxy-2-(trifluoromethylsulfonyloxy)benzoate
CID 10739136
methyl 2-(4-bromobutoxy)-4-phenylmethoxybenzoate
CID 54541902
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 4-[[ethoxycarbonyl-[(4-methoxycarbonyl-3-phenylmethoxyphenyl)methyl]amino]methyl]-2-phenylmethoxybenzoate
CID 22088372

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The IUPAC name of methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate (CID 10596554) is methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(C)C)cc2)cc1OCc1ccccc1.
What is the InChIKey of methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
The InChIKey is NPVKTJONTXMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-18(2)21-11-9-20(10-12-21)16-28-22-13-14-23(25(26)27-3)24(15-22)29-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3.
What are the key properties of methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate?
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate has a molecular weight of 390.48 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate is sourced from PubChem (CID 10596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).