(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid

C18H16O5 — CID 83950930

IUPAC(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H16O5/c1-21-14-5-2-12(3-6-14)10-15(18(19)20)13-4-7-16-17(11-13)23-9-8-22-16/h2-7,10-11H,8-9H2,1H3,(H,19,20)/b15-10-
InChIKeyXMWWDFMRQHPCCI-GDNBJRDFSA-N
MW312.32 g/mol
LogP3.09
Rot. Bonds4

About (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid

(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 83950930) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID83950930
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H16O5/c1-21-14-5-2-12(3-6-14)10-15(18(19)20)13-4-7-16-17(11-13)23-9-8-22-16/h2-7,10-11H,8-9H2,1H3,(H,19,20)/b15-10-
InChIKeyXMWWDFMRQHPCCI-GDNBJRDFSA-N
XLogP3.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 83955527
(Z)-2-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950751
methyl (Z)-2-(1,3-benzodioxole-5-carbonyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102471158
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluorophenyl)prop-2-enoic acid
CID 83951037
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
N,N-bis[2,2-bis(4-methoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 139339928
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 5340533
(Z)-2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952460

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid (CID 83950930) is (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is XMWWDFMRQHPCCI-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H16O5/c1-21-14-5-2-12(3-6-14)10-15(18(19)20)13-4-7-16-17(11-13)23-9-8-22-16/h2-7,10-11H,8-9H2,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 312.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83950930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).