methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate

C21H24O4 — CID 139615374

IUPACmethyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate
SMILESCOC(=O)CC(C)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H24O4/c1-15(14-21(22)25-4)13-20(16-5-9-18(23-2)10-6-16)17-7-11-19(24-3)12-8-17/h5-13,15H,14H2,1-4H3
InChIKeyFNNZFBDAEATGBI-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.33
Rot. Bonds7

About methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate

methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate (PubChem CID 139615374) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate
PubChem CID139615374
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Namemethyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate
SMILESCOC(=O)CC(C)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H24O4/c1-15(14-21(22)25-4)13-20(16-5-9-18(23-2)10-6-16)17-7-11-19(24-3)12-8-17/h5-13,15H,14H2,1-4H3
InChIKeyFNNZFBDAEATGBI-UHFFFAOYSA-N
XLogP4.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
methyl 3-(butan-2-ylamino)-4-(4-methoxyphenyl)-4-oxobutanoate
CID 82348331
ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
CID 13200807
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3S)-4-iodo-3-[(4-methoxybenzoyl)amino]butanoate
CID 25139376
methyl (3R)-3-amino-4-[(4-methoxybenzoyl)amino]butanoate
CID 70338276
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
CID 57250494

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate?
The IUPAC name of methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate (CID 139615374) is methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate.
What is the SMILES notation for methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate?
The canonical SMILES for methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate is COC(=O)CC(C)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate?
The InChIKey is FNNZFBDAEATGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-15(14-21(22)25-4)13-20(16-5-9-18(23-2)10-6-16)17-7-11-19(24-3)12-8-17/h5-13,15H,14H2,1-4H3.
What are the key properties of methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate?
methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate has a molecular weight of 340.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate is sourced from PubChem (CID 139615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).