6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole

C18H16ClNO — CID 167209754

IUPAC6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole
SMILESCOc1ccc(Cl)c2[nH]c3c(c12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C18H16ClNO/c1-18(2)11-7-5-4-6-10(11)16-15(18)14-13(21-3)9-8-12(19)17(14)20-16/h4-9,20H,1-3H3
InChIKeyBDZTYFHQYLIKCD-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.14
Rot. Bonds1

About 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole

6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole (PubChem CID 167209754) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole.

Molecular Properties

Compound Name6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole
PubChem CID167209754
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole
SMILESCOc1ccc(Cl)c2[nH]c3c(c12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C18H16ClNO/c1-18(2)11-7-5-4-6-10(11)16-15(18)14-13(21-3)9-8-12(19)17(14)20-16/h4-9,20H,1-3H3
InChIKeyBDZTYFHQYLIKCD-UHFFFAOYSA-N
XLogP5.14
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole
CID 167643442
1-chloro-4-methoxy-10H-[1]benzofuro[3,2-b]indole
CID 166048938
8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
CID 46942114
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione
CID 118713421
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
9-methoxy-9-(2-methoxyphenyl)fluorene
CID 13256753
10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
CID 90257397
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 169035230
1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567767
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole?
The IUPAC name of 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole (CID 167209754) is 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole.
What is the SMILES notation for 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole?
The canonical SMILES for 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole is COc1ccc(Cl)c2[nH]c3c(c12)C(C)(C)c1ccccc1-3.
What is the InChIKey of 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole?
The InChIKey is BDZTYFHQYLIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-18(2)11-7-5-4-6-10(11)16-15(18)14-13(21-3)9-8-12(19)17(14)20-16/h4-9,20H,1-3H3.
What are the key properties of 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole?
6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole has a molecular weight of 297.79 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole is sourced from PubChem (CID 167209754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).