1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene

C22H20Cl2O2 — CID 140993116

IUPAC1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene
SMILESCOc1ccc2c(c1)C=C(CCC1=Cc3cc(OC)ccc3C1Cl)C2Cl
InChIInChI=1S/C22H20Cl2O2/c1-25-17-5-7-19-15(11-17)9-13(21(19)23)3-4-14-10-16-12-18(26-2)6-8-20(16)22(14)24/h5-12,21-22H,3-4H2,1-2H3
InChIKeyIKIYJIMHLASKCL-UHFFFAOYSA-N
MW387.31 g/mol
LogP6.54
Rot. Bonds5

About 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene

1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene (PubChem CID 140993116) has the molecular formula C22H20Cl2O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene.

Molecular Properties

Compound Name1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene
PubChem CID140993116
Molecular FormulaC22H20Cl2O2
Molecular Weight387.31 g/mol
Exact Mass386.08
IUPAC Name1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene
SMILESCOc1ccc2c(c1)C=C(CCC1=Cc3cc(OC)ccc3C1Cl)C2Cl
InChIInChI=1S/C22H20Cl2O2/c1-25-17-5-7-19-15(11-17)9-13(21(19)23)3-4-14-10-16-12-18(26-2)6-8-20(16)22(14)24/h5-12,21-22H,3-4H2,1-2H3
InChIKeyIKIYJIMHLASKCL-UHFFFAOYSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-6-methoxy-2-methyl-1H-isoquinoline
CID 141404601
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
5-methoxy-1H-inden-1-amine
CID 82157971
6-methoxy-1-methyl-1,2-dihydronaphthalene
CID 22667820
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol
CID 90058164
(2S)-2-(2-chloro-4-methoxyphenyl)oxirane
CID 95436380
5-methoxy-1H-indene-1-carboxylic acid
CID 82158116
(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
CID 129363851
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
CID 87574652
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene?
The IUPAC name of 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene (CID 140993116) is 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene.
What is the SMILES notation for 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene?
The canonical SMILES for 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene is COc1ccc2c(c1)C=C(CCC1=Cc3cc(OC)ccc3C1Cl)C2Cl.
What is the InChIKey of 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene?
The InChIKey is IKIYJIMHLASKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2O2/c1-25-17-5-7-19-15(11-17)9-13(21(19)23)3-4-14-10-16-12-18(26-2)6-8-20(16)22(14)24/h5-12,21-22H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene?
1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene has a molecular weight of 387.31 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(1-chloro-5-methoxy-1H-inden-2-yl)ethyl]-5-methoxy-1H-indene is sourced from PubChem (CID 140993116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).