(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid

C21H24O6 — CID 68731850

IUPAC(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
SMILESCC/C(=C(\C(=O)O)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C21H24O6/c1-4-19(15-5-9-17(10-6-15)26-13-24-2)20(21(22)23)16-7-11-18(12-8-16)27-14-25-3/h5-12H,4,13-14H2,1-3H3,(H,22,23)/b20-19+
InChIKeyFCCLEFXNFAJMPO-FMQUCBEESA-N
MW372.42 g/mol
LogP4.06
Rot. Bonds10

About (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid

(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid (PubChem CID 68731850) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid.

Molecular Properties

Compound Name(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
PubChem CID68731850
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
SMILESCC/C(=C(\C(=O)O)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1
InChIInChI=1S/C21H24O6/c1-4-19(15-5-9-17(10-6-15)26-13-24-2)20(21(22)23)16-7-11-18(12-8-16)27-14-25-3/h5-12H,4,13-14H2,1-3H3,(H,22,23)/b20-19+
InChIKeyFCCLEFXNFAJMPO-FMQUCBEESA-N
XLogP4.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoate
CID 91319717
ethyl 2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enoate
CID 91024037
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
(Z)-2,3-diphenylpent-2-enoic acid
CID 67236453
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-[4-(methoxymethoxy)phenyl]-3-(4-methylphenyl)pent-2-enamide
CID 68985432
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
1,4-bis(methoxymethoxy)benzene
CID 542643
(Z)-3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 18473813
3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 70155103
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]prop-1-enyl]benzene
CID 146169543
(Z)-2-cyano-3-[4-(methoxymethoxy)phenyl]-4-methylpent-2-enoic acid
CID 23017895

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid?
The IUPAC name of (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid (CID 68731850) is (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid.
What is the SMILES notation for (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid?
The canonical SMILES for (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid is CC/C(=C(\C(=O)O)c1ccc(OCOC)cc1)c1ccc(OCOC)cc1.
What is the InChIKey of (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid?
The InChIKey is FCCLEFXNFAJMPO-FMQUCBEESA-N. The full InChI is InChI=1S/C21H24O6/c1-4-19(15-5-9-17(10-6-15)26-13-24-2)20(21(22)23)16-7-11-18(12-8-16)27-14-25-3/h5-12H,4,13-14H2,1-3H3,(H,22,23)/b20-19+.
What are the key properties of (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid?
(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid has a molecular weight of 372.42 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid is sourced from PubChem (CID 68731850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).