(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid

C24H27NO6 — CID 10071054

IUPAC(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid
SMILESCOCOc1c(OC)cc(/C=C(\C)C(=O)O)c2c1c(C)c(-c1cccc(OC)c1)n2C
InChIInChI=1S/C24H27NO6/c1-14(24(26)27)10-17-12-19(30-6)23(31-13-28-4)20-15(2)21(25(3)22(17)20)16-8-7-9-18(11-16)29-5/h7-12H,13H2,1-6H3,(H,26,27)/b14-10+
InChIKeyUDLWOZOWZVOKEE-GXDHUFHOSA-N
MW425.48 g/mol
LogP4.64
Rot. Bonds8

About (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid

(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid (PubChem CID 10071054) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid
PubChem CID10071054
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid
SMILESCOCOc1c(OC)cc(/C=C(\C)C(=O)O)c2c1c(C)c(-c1cccc(OC)c1)n2C
InChIInChI=1S/C24H27NO6/c1-14(24(26)27)10-17-12-19(30-6)23(31-13-28-4)20-15(2)21(25(3)22(17)20)16-8-7-9-18(11-16)29-5/h7-12H,13H2,1-6H3,(H,26,27)/b14-10+
InChIKeyUDLWOZOWZVOKEE-GXDHUFHOSA-N
XLogP4.64
TPSA79.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-methoxy-4-(methoxymethoxy)-1,3-dimethyl-2-(2-methylphenyl)indol-7-yl]-2-methylprop-2-enoic acid
CID 10386793
ethyl (E)-3-[5-methoxy-4-(methoxymethoxy)-1,3-dimethyl-2-(2-methylphenyl)indol-7-yl]-2-methylprop-2-enoate
CID 10343027
2-(3,4-dimethoxyphenyl)-5-methoxy-4-(methoxymethoxy)-1,3-dimethylindole-7-carbaldehyde
CID 10023856
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole-7-carbaldehyde
CID 10384461
ethyl (Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-methylprop-2-enoate
CID 10316348
(Z)-3-[5-ethyl-3-methoxy-4-(methoxymethoxy)naphthalen-1-yl]-2-phenylprop-2-enoic acid
CID 11741233
(2Z)-2-[[3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl]methylidene]butanoic acid
CID 10383765
ethyl (E)-3-[3-methoxy-4-(methoxymethoxy)-5-methylnaphthalen-1-yl]prop-2-enoate
CID 10019525
(E)-3-(2-chloro-7-methoxy-1-methylindol-3-yl)-2-methylprop-2-enoic acid
CID 82269385
(E)-3-(4,5-dimethoxy-2-methylphenyl)-2-methylprop-2-enoic acid
CID 116866139
(E)-3-(1-ethyl-7-hydroxy-6-methoxy-2,3-dimethylindol-4-yl)-2-methylprop-2-enoic acid
CID 10518533
(E)-3-(2-acetyloxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
CID 170873188

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid (CID 10071054) is (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid is COCOc1c(OC)cc(/C=C(\C)C(=O)O)c2c1c(C)c(-c1cccc(OC)c1)n2C.
What is the InChIKey of (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid?
The InChIKey is UDLWOZOWZVOKEE-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H27NO6/c1-14(24(26)27)10-17-12-19(30-6)23(31-13-28-4)20-15(2)21(25(3)22(17)20)16-8-7-9-18(11-16)29-5/h7-12H,13H2,1-6H3,(H,26,27)/b14-10+.
What are the key properties of (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid?
(E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid has a molecular weight of 425.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-methoxy-4-(methoxymethoxy)-2-(3-methoxyphenyl)-1,3-dimethylindol-7-yl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 10071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).