6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole

C18H17NO2 — CID 25050334

IUPAC6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C\c2ccc3cc[nH]c3c2)cc(OC)c1
InChIInChI=1S/C18H17NO2/c1-20-16-9-14(10-17(12-16)21-2)4-3-13-5-6-15-7-8-19-18(15)11-13/h3-12,19H,1-2H3/b4-3-
InChIKeyDCHRFESROXHHKC-ARJAWSKDSA-N
MW279.34 g/mol
LogP4.36
Rot. Bonds4

About 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole

6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole (PubChem CID 25050334) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
PubChem CID25050334
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
SMILESCOc1cc(/C=C\c2ccc3cc[nH]c3c2)cc(OC)c1
InChIInChI=1S/C18H17NO2/c1-20-16-9-14(10-17(12-16)21-2)4-3-13-5-6-15-7-8-19-18(15)11-13/h3-12,19H,1-2H3/b4-3-
InChIKeyDCHRFESROXHHKC-ARJAWSKDSA-N
XLogP4.36
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
1H-indole-6-carbaldehyde;methoxymethane
CID 142993125
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
1H-indol-6-ol;6-methoxy-1H-indole
CID 158260625
1H-indole;1-methoxy-4-prop-1-enylbenzene
CID 67195673
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
The IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole (CID 25050334) is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole is COc1cc(/C=C\c2ccc3cc[nH]c3c2)cc(OC)c1.
What is the InChIKey of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
The InChIKey is DCHRFESROXHHKC-ARJAWSKDSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-16-9-14(10-17(12-16)21-2)4-3-13-5-6-15-7-8-19-18(15)11-13/h3-12,19H,1-2H3/b4-3-.
What are the key properties of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole?
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole has a molecular weight of 279.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 25050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).