ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate

C25H32O4 — CID 58150533

IUPACethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H32O4/c1-5-28-25(26)23(14-17(2)3)20-10-13-24(29-16-18-6-7-18)22(15-20)19-8-11-21(27-4)12-9-19/h8-13,15,17-18,23H,5-7,14,16H2,1-4H3
InChIKeyBCDRFEKLTWUBNP-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.84
Rot. Bonds10

About ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate

ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate (PubChem CID 58150533) has the molecular formula C25H32O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate
PubChem CID58150533
Molecular FormulaC25H32O4
Molecular Weight396.53 g/mol
Exact Mass396.23
IUPAC Nameethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccc(OC)cc2)c1
InChIInChI=1S/C25H32O4/c1-5-28-25(26)23(14-17(2)3)20-10-13-24(29-16-18-6-7-18)22(15-20)19-8-11-21(27-4)12-9-19/h8-13,15,17-18,23H,5-7,14,16H2,1-4H3
InChIKeyBCDRFEKLTWUBNP-UHFFFAOYSA-N
XLogP5.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(cyclopropylmethoxy)-3-pyridin-4-ylphenyl]-4-methylpentanoate
CID 58150497
2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylheptanoic acid
CID 66940716
ethyl 2-[3-(cyclopropylmethoxy)-4-iodophenyl]-4-methylpentanoate;ethyl 2-[3-(cyclopropylmethoxy)-4-(4-methylsulfanylphenyl)phenyl]-4-methylpentanoate
CID 158833893
2-[4-(cyclopropylmethoxy)-3-(3-methylphenyl)phenyl]-4-methylpentanoic acid
CID 58150506
ethyl 2-[2-chloro-4-(cyclopropylmethoxy)-5-phenylphenyl]-4-methylpentanoate
CID 68854756
1-bromo-2-methylpropane;ethyl 2-[3-(cyclopropylmethoxy)-4-iodophenyl]acetate;ethyl 2-[3-(cyclopropylmethoxy)-4-iodophenyl]-4-methylpentanoate
CID 159350342
2-[3-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)phenyl]-4-methylpentanoic acid
CID 66940615
2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal
CID 88975610
3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 141008558
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate?
The IUPAC name of ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate (CID 58150533) is ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate?
The canonical SMILES for ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate is CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate?
The InChIKey is BCDRFEKLTWUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O4/c1-5-28-25(26)23(14-17(2)3)20-10-13-24(29-16-18-6-7-18)22(15-20)19-8-11-21(27-4)12-9-19/h8-13,15,17-18,23H,5-7,14,16H2,1-4H3.
What are the key properties of ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate?
ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate has a molecular weight of 396.53 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropylmethoxy)-3-(4-methoxyphenyl)phenyl]-4-methylpentanoate is sourced from PubChem (CID 58150533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).