1-chloro-3-(3-phenoxypropoxy)benzene

C15H15ClO2 — CID 60665433

IUPAC1-chloro-3-(3-phenoxypropoxy)benzene
SMILESClc1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C15H15ClO2/c16-13-6-4-9-15(12-13)18-11-5-10-17-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2
InChIKeyHVHXUWDMXUSNDA-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.19
Rot. Bonds6

About 1-chloro-3-(3-phenoxypropoxy)benzene

1-chloro-3-(3-phenoxypropoxy)benzene (PubChem CID 60665433) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-chloro-3-(3-phenoxypropoxy)benzene.

Molecular Properties

Compound Name1-chloro-3-(3-phenoxypropoxy)benzene
PubChem CID60665433
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-chloro-3-(3-phenoxypropoxy)benzene
SMILESClc1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C15H15ClO2/c16-13-6-4-9-15(12-13)18-11-5-10-17-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2
InChIKeyHVHXUWDMXUSNDA-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
CID 131885829
CID 131885829
3-(3-chlorophenoxy)propanal
CID 63040616
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
1-chloro-3-(3-phenylprop-2-ynoxy)benzene
CID 64763813
5-(3-chlorophenoxy)pentan-2-one
CID 62030286

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-phenoxypropoxy)benzene?
The IUPAC name of 1-chloro-3-(3-phenoxypropoxy)benzene (CID 60665433) is 1-chloro-3-(3-phenoxypropoxy)benzene.
What is the SMILES notation for 1-chloro-3-(3-phenoxypropoxy)benzene?
The canonical SMILES for 1-chloro-3-(3-phenoxypropoxy)benzene is Clc1cccc(OCCCOc2ccccc2)c1.
What is the InChIKey of 1-chloro-3-(3-phenoxypropoxy)benzene?
The InChIKey is HVHXUWDMXUSNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c16-13-6-4-9-15(12-13)18-11-5-10-17-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 1-chloro-3-(3-phenoxypropoxy)benzene?
1-chloro-3-(3-phenoxypropoxy)benzene has a molecular weight of 262.74 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-phenoxypropoxy)benzene is sourced from PubChem (CID 60665433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).