1-chloro-4-(3-phenylpropoxy)benzene

C15H15ClO — CID 56978071

IUPAC1-chloro-4-(3-phenylpropoxy)benzene
SMILESClc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C15H15ClO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyPRBUESWVVWUTTK-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.35
Rot. Bonds5

About 1-chloro-4-(3-phenylpropoxy)benzene

1-chloro-4-(3-phenylpropoxy)benzene (PubChem CID 56978071) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-chloro-4-(3-phenylpropoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-phenylpropoxy)benzene
PubChem CID56978071
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name1-chloro-4-(3-phenylpropoxy)benzene
SMILESClc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C15H15ClO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyPRBUESWVVWUTTK-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-phenylpropoxy)benzene?
The IUPAC name of 1-chloro-4-(3-phenylpropoxy)benzene (CID 56978071) is 1-chloro-4-(3-phenylpropoxy)benzene.
What is the SMILES notation for 1-chloro-4-(3-phenylpropoxy)benzene?
The canonical SMILES for 1-chloro-4-(3-phenylpropoxy)benzene is Clc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-(3-phenylpropoxy)benzene?
The InChIKey is PRBUESWVVWUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of 1-chloro-4-(3-phenylpropoxy)benzene?
1-chloro-4-(3-phenylpropoxy)benzene has a molecular weight of 246.74 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-phenylpropoxy)benzene is sourced from PubChem (CID 56978071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).