1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene

C11H13ClO2 — CID 61383826

IUPAC1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc(OC)c2c1CCC2Cl
InChIInChI=1S/C11H13ClO2/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6,8H,3-4H2,1-2H3
InChIKeyOSCYRGAQVNGXHM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.93
Rot. Bonds2

About 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene

1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene (PubChem CID 61383826) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
PubChem CID61383826
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc(OC)c2c1CCC2Cl
InChIInChI=1S/C11H13ClO2/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6,8H,3-4H2,1-2H3
InChIKeyOSCYRGAQVNGXHM-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.93
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

5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
5-chloro-6,9-dimethoxy-1,2,4,5-tetrahydro-3-benzoxepine
CID 62737870
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
5-chloro-9-methoxy-6-methyl-1,2,4,5-tetrahydro-3-benzoxepine
CID 62735648
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 5073341
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
7-bromo-1-chloro-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 105057519
4-bromo-1-methoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943132

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene (CID 61383826) is 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene is COc1ccc(OC)c2c1CCC2Cl.
What is the InChIKey of 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene?
The InChIKey is OSCYRGAQVNGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-13-9-5-6-10(14-2)11-7(9)3-4-8(11)12/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene?
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene has a molecular weight of 212.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 61383826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).