cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate

C27H28O5 — CID 67505198

IUPACcyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COc2ccc(-c3ccc(OC)cc3C)cc2C(=O)OCC2CC2)cc1
InChIInChI=1S/C27H28O5/c1-18-14-23(30-3)11-12-24(18)21-8-13-26(25(15-21)27(28)32-17-19-4-5-19)31-16-20-6-9-22(29-2)10-7-20/h6-15,19H,4-5,16-17H2,1-3H3
InChIKeyANHRDKXAXDYHGM-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.83
Rot. Bonds9

About cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate

cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate (PubChem CID 67505198) has the molecular formula C27H28O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namecyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate
PubChem CID67505198
Molecular FormulaC27H28O5
Molecular Weight432.52 g/mol
Exact Mass432.19
IUPAC Namecyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate
SMILESCOc1ccc(COc2ccc(-c3ccc(OC)cc3C)cc2C(=O)OCC2CC2)cc1
InChIInChI=1S/C27H28O5/c1-18-14-23(30-3)11-12-24(18)21-8-13-26(25(15-21)27(28)32-17-19-4-5-19)31-16-20-6-9-22(29-2)10-7-20/h6-15,19H,4-5,16-17H2,1-3H3
InChIKeyANHRDKXAXDYHGM-UHFFFAOYSA-N
XLogP5.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-bromo-5-[(4-methoxyphenyl)methoxy]-4-methylbenzoate
CID 58334561
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
(4-bromophenyl)methyl 2,5-dimethoxybenzoate
CID 43024000
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate
CID 58150533
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate
CID 67504979
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate (CID 67505198) is cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate is COc1ccc(COc2ccc(-c3ccc(OC)cc3C)cc2C(=O)OCC2CC2)cc1.
What is the InChIKey of cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate?
The InChIKey is ANHRDKXAXDYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O5/c1-18-14-23(30-3)11-12-24(18)21-8-13-26(25(15-21)27(28)32-17-19-4-5-19)31-16-20-6-9-22(29-2)10-7-20/h6-15,19H,4-5,16-17H2,1-3H3.
What are the key properties of cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate?
cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate has a molecular weight of 432.52 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 67505198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).