1-pentoxy-2-(4-phenylphenyl)benzene

C23H24O — CID 173284868

IUPAC1-pentoxy-2-(4-phenylphenyl)benzene
SMILESCCCCCOc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24O/c1-2-3-9-18-24-23-13-8-7-12-22(23)21-16-14-20(15-17-21)19-10-5-4-6-11-19/h4-8,10-17H,2-3,9,18H2,1H3
InChIKeyCJADFKVAINZBSN-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.59
Rot. Bonds7

About 1-pentoxy-2-(4-phenylphenyl)benzene

1-pentoxy-2-(4-phenylphenyl)benzene (PubChem CID 173284868) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-pentoxy-2-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-pentoxy-2-(4-phenylphenyl)benzene
PubChem CID173284868
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name1-pentoxy-2-(4-phenylphenyl)benzene
SMILESCCCCCOc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24O/c1-2-3-9-18-24-23-13-8-7-12-22(23)21-16-14-20(15-17-21)19-10-5-4-6-11-19/h4-8,10-17H,2-3,9,18H2,1H3
InChIKeyCJADFKVAINZBSN-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.59
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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Related Compounds

1-octadecoxy-2-phenylbenzene
CID 70983974
1-heptoxy-2,3-diphenylbenzene
CID 91223664
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
4-(2-nonoxyphenyl)benzamide
CID 67822371
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N,N-dimethyl-4-[3-(2-octoxyphenyl)phenyl]aniline
CID 174500823
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1-pentoxy-4-phenylbenzene
CID 7021155
2-decoxy-6-phenylbenzonitrile
CID 70475656
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-2-(4-phenylphenyl)benzene?
The IUPAC name of 1-pentoxy-2-(4-phenylphenyl)benzene (CID 173284868) is 1-pentoxy-2-(4-phenylphenyl)benzene.
What is the SMILES notation for 1-pentoxy-2-(4-phenylphenyl)benzene?
The canonical SMILES for 1-pentoxy-2-(4-phenylphenyl)benzene is CCCCCOc1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-pentoxy-2-(4-phenylphenyl)benzene?
The InChIKey is CJADFKVAINZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-2-3-9-18-24-23-13-8-7-12-22(23)21-16-14-20(15-17-21)19-10-5-4-6-11-19/h4-8,10-17H,2-3,9,18H2,1H3.
What are the key properties of 1-pentoxy-2-(4-phenylphenyl)benzene?
1-pentoxy-2-(4-phenylphenyl)benzene has a molecular weight of 316.44 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-2-(4-phenylphenyl)benzene is sourced from PubChem (CID 173284868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).