1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol

C14H14INO — CID 102430889

IUPAC1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1c(I)c2ccccc2n1C
InChIInChI=1S/C14H14INO/c1-4-9(2)14(17)13-12(15)10-7-5-6-8-11(10)16(13)3/h5-8,14,17H,1H2,2-3H3
InChIKeyYGNROLREVDGVTR-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.55
Rot. Bonds2

About 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol

1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol (PubChem CID 102430889) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol
PubChem CID102430889
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1c(I)c2ccccc2n1C
InChIInChI=1S/C14H14INO/c1-4-9(2)14(17)13-12(15)10-7-5-6-8-11(10)16(13)3/h5-8,14,17H,1H2,2-3H3
InChIKeyYGNROLREVDGVTR-UHFFFAOYSA-N
XLogP3.55
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
CID 54756628
3-iodo-1,2-dimethylindole
CID 19093282
2,3-diiodo-1-methylindole
CID 10762499
tert-butyl 3-(1-hydroxy-2-methylbuta-2,3-dienyl)indole-1-carboxylate
CID 71764563
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
3-iodo-1-methyl-2-methylsulfanylindole
CID 125490315
9-methyl-1-prop-1-en-2-ylcarbazole
CID 142568920
4-(3-iodo-1-methylindol-2-yl)-2-methylbut-3-yn-2-ol
CID 12839095
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
3-iodo-1-methyl-2-(trifluoromethyl)indole
CID 165178888

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol?
The IUPAC name of 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol (CID 102430889) is 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol.
What is the SMILES notation for 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol is C=C=C(C)C(O)c1c(I)c2ccccc2n1C.
What is the InChIKey of 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol?
The InChIKey is YGNROLREVDGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-4-9(2)14(17)13-12(15)10-7-5-6-8-11(10)16(13)3/h5-8,14,17H,1H2,2-3H3.
What are the key properties of 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol?
1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol has a molecular weight of 339.18 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-1-methylindol-2-yl)-2-methylbuta-2,3-dien-1-ol is sourced from PubChem (CID 102430889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).