methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate

C20H22O4 — CID 86169370

IUPACmethyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
SMILESCOC(=O)CCC=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-22-17-11-7-15(8-12-17)19(5-4-6-20(21)24-3)16-9-13-18(23-2)14-10-16/h5,7-14H,4,6H2,1-3H3
InChIKeyXAVQXXOPBFPVQR-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.09
Rot. Bonds7

About methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate

methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate (PubChem CID 86169370) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate.

Molecular Properties

Compound Namemethyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
PubChem CID86169370
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Namemethyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
SMILESCOC(=O)CCC=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22O4/c1-22-17-11-7-15(8-12-17)19(5-4-6-20(21)24-3)16-9-13-18(23-2)14-10-16/h5,7-14H,4,6H2,1-3H3
InChIKeyXAVQXXOPBFPVQR-UHFFFAOYSA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
CID 163449176
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
methyl 8,8-diphenyloct-7-enoate
CID 13104337
methyl 5,5-bis(4-methoxyphenyl)-3-methylpent-4-enoate
CID 139615374
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
methyl 3-(4,4-diphenylbut-3-enylamino)propanoate
CID 71739732
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
methyl 4-[(E)-methoxyiminomethyl]-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 139610639
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)pent-4-enoate?
The IUPAC name of methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate (CID 86169370) is methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate.
What is the SMILES notation for methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate?
The canonical SMILES for methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate is COC(=O)CCC=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate?
The InChIKey is XAVQXXOPBFPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-22-17-11-7-15(8-12-17)19(5-4-6-20(21)24-3)16-9-13-18(23-2)14-10-16/h5,7-14H,4,6H2,1-3H3.
What are the key properties of methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate?
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.09, 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)pent-4-enoate is sourced from PubChem (CID 86169370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).