5-(6-chlorohexoxy)-2,3-dihydro-1H-indene

C15H21ClO — CID 63499663

IUPAC5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
SMILESClCCCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21ClO/c16-10-3-1-2-4-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2
InChIKeyCXSPJSDGZLLWGV-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.35
Rot. Bonds7

About 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene

5-(6-chlorohexoxy)-2,3-dihydro-1H-indene (PubChem CID 63499663) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
PubChem CID63499663
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
SMILESClCCCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21ClO/c16-10-3-1-2-4-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2
InChIKeyCXSPJSDGZLLWGV-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
CID 54965695
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
CID 91088145
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190

Frequently Asked Questions

What is the IUPAC name of 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene (CID 63499663) is 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene is ClCCCCCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene?
The InChIKey is CXSPJSDGZLLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c16-10-3-1-2-4-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2.
What are the key properties of 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene?
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene has a molecular weight of 252.78 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chlorohexoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 63499663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).