methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate

C23H22O4 — CID 155173763

IUPACmethyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-16(2)26-20-12-14-22(15-13-20)27-21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(24)25-3/h4-16H,1-3H3
InChIKeyREMQDRVZCCZMGW-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.72
Rot. Bonds6

About methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate

methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate (PubChem CID 155173763) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
PubChem CID155173763
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Namemethyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H22O4/c1-16(2)26-20-12-14-22(15-13-20)27-21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(24)25-3/h4-16H,1-3H3
InChIKeyREMQDRVZCCZMGW-UHFFFAOYSA-N
XLogP5.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-[(E)-3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]benzoate
CID 8829761
fluoro 4-propan-2-yloxybenzoate
CID 174701102
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
methyl 4-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 58407547
methyl 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoate
CID 59649315
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
methyl 3-(4-nitrophenoxy)-5-propan-2-yloxybenzoate
CID 58528840
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate?
The IUPAC name of methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate (CID 155173763) is methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate.
What is the SMILES notation for methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate?
The canonical SMILES for methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate is COC(=O)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate?
The InChIKey is REMQDRVZCCZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-16(2)26-20-12-14-22(15-13-20)27-21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(24)25-3/h4-16H,1-3H3.
What are the key properties of methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate?
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate is sourced from PubChem (CID 155173763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).