1-(6-chlorohexoxy)-2-propoxybenzene

C15H23ClO2 — CID 63499119

IUPAC1-(6-chlorohexoxy)-2-propoxybenzene
SMILESCCCOc1ccccc1OCCCCCCCl
InChIInChI=1S/C15H23ClO2/c1-2-12-17-14-9-5-6-10-15(14)18-13-8-4-3-7-11-16/h5-6,9-10H,2-4,7-8,11-13H2,1H3
InChIKeyUFWOITRMVBARMT-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.65
Rot. Bonds10

About 1-(6-chlorohexoxy)-2-propoxybenzene

1-(6-chlorohexoxy)-2-propoxybenzene (PubChem CID 63499119) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(6-chlorohexoxy)-2-propoxybenzene.

Molecular Properties

Compound Name1-(6-chlorohexoxy)-2-propoxybenzene
PubChem CID63499119
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name1-(6-chlorohexoxy)-2-propoxybenzene
SMILESCCCOc1ccccc1OCCCCCCCl
InChIInChI=1S/C15H23ClO2/c1-2-12-17-14-9-5-6-10-15(14)18-13-8-4-3-7-11-16/h5-6,9-10H,2-4,7-8,11-13H2,1H3
InChIKeyUFWOITRMVBARMT-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-[2-[2-(6-chlorohexoxy)ethoxy]phenoxy]ethoxymethanamine
CID 176854960
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
1-(5-chloropentoxy)-3-ethyl-2-(2-ethylphenyl)benzene
CID 70495337
2-tridecoxyphenol
CID 67178320
1-methyl-2-pentadecoxybenzene
CID 154641785

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorohexoxy)-2-propoxybenzene?
The IUPAC name of 1-(6-chlorohexoxy)-2-propoxybenzene (CID 63499119) is 1-(6-chlorohexoxy)-2-propoxybenzene.
What is the SMILES notation for 1-(6-chlorohexoxy)-2-propoxybenzene?
The canonical SMILES for 1-(6-chlorohexoxy)-2-propoxybenzene is CCCOc1ccccc1OCCCCCCCl.
What is the InChIKey of 1-(6-chlorohexoxy)-2-propoxybenzene?
The InChIKey is UFWOITRMVBARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-2-12-17-14-9-5-6-10-15(14)18-13-8-4-3-7-11-16/h5-6,9-10H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-(6-chlorohexoxy)-2-propoxybenzene?
1-(6-chlorohexoxy)-2-propoxybenzene has a molecular weight of 270.80 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorohexoxy)-2-propoxybenzene is sourced from PubChem (CID 63499119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).