2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene

C16H14Cl2O — CID 121005129

IUPAC2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene
SMILESCOc1ccccc1C1(Cl)c2ccccc2CC1Cl
InChIInChI=1S/C16H14Cl2O/c1-19-14-9-5-4-8-13(14)16(18)12-7-3-2-6-11(12)10-15(16)17/h2-9,15H,10H2,1H3
InChIKeyYQSDJWYHMSMJMK-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.34
Rot. Bonds2

About 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene

2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene (PubChem CID 121005129) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene.

Molecular Properties

Compound Name2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene
PubChem CID121005129
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene
SMILESCOc1ccccc1C1(Cl)c2ccccc2CC1Cl
InChIInChI=1S/C16H14Cl2O/c1-19-14-9-5-4-8-13(14)16(18)12-7-3-2-6-11(12)10-15(16)17/h2-9,15H,10H2,1H3
InChIKeyYQSDJWYHMSMJMK-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
[(1R)-2-(2-methoxyphenyl)-2-methylcyclopropyl]methanamine
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[2-(2-methoxyphenyl)-2-methylcyclopropyl]methanol
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4-(2-methoxyphenyl)-2-azabicyclo[2.1.1]hexane
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CID 60794785

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene?
The IUPAC name of 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene (CID 121005129) is 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene.
What is the SMILES notation for 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene?
The canonical SMILES for 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene is COc1ccccc1C1(Cl)c2ccccc2CC1Cl.
What is the InChIKey of 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene?
The InChIKey is YQSDJWYHMSMJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-19-14-9-5-4-8-13(14)16(18)12-7-3-2-6-11(12)10-15(16)17/h2-9,15H,10H2,1H3.
What are the key properties of 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene?
2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene has a molecular weight of 293.19 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene is sourced from PubChem (CID 121005129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).