1-(8-chlorooctoxy)-2-phenylbenzene

C20H25ClO — CID 70493005

IUPAC1-(8-chlorooctoxy)-2-phenylbenzene
SMILESClCCCCCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25ClO/c21-16-10-3-1-2-4-11-17-22-20-15-9-8-14-19(20)18-12-6-5-7-13-18/h5-9,12-15H,1-4,10-11,16-17H2
InChIKeyOYGVMWMJCQRQNK-UHFFFAOYSA-N
MW316.87 g/mol
LogP6.31
Rot. Bonds10

About 1-(8-chlorooctoxy)-2-phenylbenzene

1-(8-chlorooctoxy)-2-phenylbenzene (PubChem CID 70493005) has the molecular formula C20H25ClO and a molecular weight of 316.87 g/mol. Its IUPAC name is 1-(8-chlorooctoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1-(8-chlorooctoxy)-2-phenylbenzene
PubChem CID70493005
Molecular FormulaC20H25ClO
Molecular Weight316.87 g/mol
Exact Mass316.16
IUPAC Name1-(8-chlorooctoxy)-2-phenylbenzene
SMILESClCCCCCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H25ClO/c21-16-10-3-1-2-4-11-17-22-20-15-9-8-14-19(20)18-12-6-5-7-13-18/h5-9,12-15H,1-4,10-11,16-17H2
InChIKeyOYGVMWMJCQRQNK-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.87
LogP ≤ 56.31
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

1-octadecoxy-2-phenylbenzene
CID 70983974
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
bis[12-(2-phenylphenoxy)dodecyl] (Z)-but-2-enedioate
CID 118941078
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
4-(2-phenylphenoxy)butanenitrile
CID 14751947
2-[12-(2-phenylphenoxy)dodecoxymethyl]oxirane
CID 175143054
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438

Frequently Asked Questions

What is the IUPAC name of 1-(8-chlorooctoxy)-2-phenylbenzene?
The IUPAC name of 1-(8-chlorooctoxy)-2-phenylbenzene (CID 70493005) is 1-(8-chlorooctoxy)-2-phenylbenzene.
What is the SMILES notation for 1-(8-chlorooctoxy)-2-phenylbenzene?
The canonical SMILES for 1-(8-chlorooctoxy)-2-phenylbenzene is ClCCCCCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(8-chlorooctoxy)-2-phenylbenzene?
The InChIKey is OYGVMWMJCQRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClO/c21-16-10-3-1-2-4-11-17-22-20-15-9-8-14-19(20)18-12-6-5-7-13-18/h5-9,12-15H,1-4,10-11,16-17H2.
What are the key properties of 1-(8-chlorooctoxy)-2-phenylbenzene?
1-(8-chlorooctoxy)-2-phenylbenzene has a molecular weight of 316.87 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chlorooctoxy)-2-phenylbenzene is sourced from PubChem (CID 70493005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).