4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene

C15H15IO — CID 102100246

IUPAC4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene
SMILESCOc1ccc2c(c1)C1=CCC(C)(C)C1=C2I
InChIInChI=1S/C15H15IO/c1-15(2)7-6-10-12-8-9(17-3)4-5-11(12)14(16)13(10)15/h4-6,8H,7H2,1-3H3
InChIKeyBTHLSXLOUSNIBJ-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.67
Rot. Bonds1

About 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene

4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene (PubChem CID 102100246) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene.

Molecular Properties

Compound Name4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene
PubChem CID102100246
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene
SMILESCOc1ccc2c(c1)C1=CCC(C)(C)C1=C2I
InChIInChI=1S/C15H15IO/c1-15(2)7-6-10-12-8-9(17-3)4-5-11(12)14(16)13(10)15/h4-6,8H,7H2,1-3H3
InChIKeyBTHLSXLOUSNIBJ-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1,1,4-trimethyl-2H-naphthalene
CID 20646489
2-(6-methoxy-4,4-dimethyl-3H-naphthalen-1-yl)ethanol
CID 86028923
(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 124562773
(3-iodo-6-methoxybiphenylen-2-yl)-trimethylsilane
CID 135016768
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
(2R)-2-bromo-6-methoxy-3,3-dimethyl-2,4-dihydronaphthalen-1-one
CID 124560116
3'-iodo-5'-methoxy-2'-[5-methoxy-2-(4-methoxyphenyl)phenyl]spiro[cyclohexa-2,5-diene-4,1'-indene]-1-one
CID 23727760
3'-iodo-5'-methoxy-2'-(4-methoxyphenyl)spiro[cyclohexa-2,5-diene-4,1'-indene]-1-one
CID 23727727
7-fluoro-2-methoxy-10,10-dimethyl-9H-phenanthrene
CID 175802586
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene?
The IUPAC name of 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene (CID 102100246) is 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene.
What is the SMILES notation for 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene?
The canonical SMILES for 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene is COc1ccc2c(c1)C1=CCC(C)(C)C1=C2I.
What is the InChIKey of 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene?
The InChIKey is BTHLSXLOUSNIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c1-15(2)7-6-10-12-8-9(17-3)4-5-11(12)14(16)13(10)15/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene?
4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene has a molecular weight of 338.19 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methoxy-3,3-dimethyl-2H-cyclopenta[a]indene is sourced from PubChem (CID 102100246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).