methyl 4,4-bis(4-methoxyphenyl)pentanoate

C20H24O4 — CID 118933680

IUPACmethyl 4,4-bis(4-methoxyphenyl)pentanoate
SMILESCOC(=O)CCC(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O4/c1-20(14-13-19(21)24-4,15-5-9-17(22-2)10-6-15)16-7-11-18(23-3)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyMSFCEOOFOLBGPT-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.96
Rot. Bonds7

About methyl 4,4-bis(4-methoxyphenyl)pentanoate

methyl 4,4-bis(4-methoxyphenyl)pentanoate (PubChem CID 118933680) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 4,4-bis(4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4,4-bis(4-methoxyphenyl)pentanoate
PubChem CID118933680
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namemethyl 4,4-bis(4-methoxyphenyl)pentanoate
SMILESCOC(=O)CCC(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O4/c1-20(14-13-19(21)24-4,15-5-9-17(22-2)10-6-15)16-7-11-18(23-3)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyMSFCEOOFOLBGPT-UHFFFAOYSA-N
XLogP3.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
tert-butyl 4,4-bis[4-(dimethoxymethoxy)phenyl]pentanoate
CID 15375051
tert-butyl 4,4-bis[4-(2-methoxypropan-2-yloxy)phenyl]pentanoate
CID 54207911
methyl 7-(4-methoxyphenyl)-6,6-dimethylheptanoate
CID 68632633
methyl 4-(4-naphthalen-2-yloxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
CID 10793105
4,4-bis(4-methoxyphenyl)-N-(2-methylphenoxy)sulfinylpentanamide
CID 54180315
methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate
CID 71739856
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
methyl 5-[6-(6-methoxy-2-methyl-6-oxohexan-2-yl)anthracen-2-yl]-5-methylhexanoate
CID 23180142
methyl 5-[7-(6-methoxy-2-methyl-6-oxohexan-2-yl)anthracen-2-yl]-5-methylhexanoate
CID 18986362
dimethyl (3R)-3-methyl-3-(4-methylphenyl)hexanedioate
CID 11033191
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-bis(4-methoxyphenyl)pentanoate?
The IUPAC name of methyl 4,4-bis(4-methoxyphenyl)pentanoate (CID 118933680) is methyl 4,4-bis(4-methoxyphenyl)pentanoate.
What is the SMILES notation for methyl 4,4-bis(4-methoxyphenyl)pentanoate?
The canonical SMILES for methyl 4,4-bis(4-methoxyphenyl)pentanoate is COC(=O)CCC(C)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 4,4-bis(4-methoxyphenyl)pentanoate?
The InChIKey is MSFCEOOFOLBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-20(14-13-19(21)24-4,15-5-9-17(22-2)10-6-15)16-7-11-18(23-3)12-8-16/h5-12H,13-14H2,1-4H3.
What are the key properties of methyl 4,4-bis(4-methoxyphenyl)pentanoate?
methyl 4,4-bis(4-methoxyphenyl)pentanoate has a molecular weight of 328.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-bis(4-methoxyphenyl)pentanoate is sourced from PubChem (CID 118933680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).