1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene

C16H23ClO3 — CID 104565875

IUPAC1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene
SMILESCOCCOCCOCCC1Cc2ccccc2C1Cl
InChIInChI=1S/C16H23ClO3/c1-18-8-9-20-11-10-19-7-6-14-12-13-4-2-3-5-15(13)16(14)17/h2-5,14,16H,6-12H2,1H3
InChIKeyNXLDECICTPRRKE-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.21
Rot. Bonds9

About 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene

1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene (PubChem CID 104565875) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene
PubChem CID104565875
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene
SMILESCOCCOCCOCCC1Cc2ccccc2C1Cl
InChIInChI=1S/C16H23ClO3/c1-18-8-9-20-11-10-19-7-6-14-12-13-4-2-3-5-15(13)16(14)17/h2-5,14,16H,6-12H2,1H3
InChIKeyNXLDECICTPRRKE-UHFFFAOYSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenoxy)ethyl]-1-chloro-2,3-dihydro-1H-indene
CID 63459323
2-[3-(2-methoxyethoxy)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103410706
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
1-chloro-2-decyl-2,3-dihydro-1H-indene
CID 63460402
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63459510
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 66418901
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927663
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104560782
2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-5-ethylthiophene
CID 63460569

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene?
The IUPAC name of 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene (CID 104565875) is 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene is COCCOCCOCCC1Cc2ccccc2C1Cl.
What is the InChIKey of 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene?
The InChIKey is NXLDECICTPRRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-18-8-9-20-11-10-19-7-6-14-12-13-4-2-3-5-15(13)16(14)17/h2-5,14,16H,6-12H2,1H3.
What are the key properties of 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene?
1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene has a molecular weight of 298.81 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 104565875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).