1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene

C11H13ClO2 — CID 82024117

IUPAC1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(Cl)CC2
InChIInChI=1S/C11H13ClO2/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6,9H,3-4H2,1-2H3
InChIKeyQRRCUBZPAXTUFP-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.93
Rot. Bonds2

About 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene

1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene (PubChem CID 82024117) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
PubChem CID82024117
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1OC)C(Cl)CC2
InChIInChI=1S/C11H13ClO2/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6,9H,3-4H2,1-2H3
InChIKeyQRRCUBZPAXTUFP-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

[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102581566
1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 132528570
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
CID 82277958
(7R)-7-chloro-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 7055831
2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 67800169
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993
5-bromo-2,3-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63515124
5-chloro-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 55108947

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene?
The IUPAC name of 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene (CID 82024117) is 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene is COc1cc2c(cc1OC)C(Cl)CC2.
What is the InChIKey of 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene?
The InChIKey is QRRCUBZPAXTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene?
1-chloro-5,6-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-5,6-dimethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 82024117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).