1-benzyl-2-(3-pentylphenoxy)benzene

C24H26O — CID 58062192

IUPAC1-benzyl-2-(3-pentylphenoxy)benzene
SMILESCCCCCc1cccc(Oc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C24H26O/c1-2-3-5-11-21-14-10-16-23(19-21)25-24-17-9-8-15-22(24)18-20-12-6-4-7-13-20/h4,6-10,12-17,19H,2-3,5,11,18H2,1H3
InChIKeyQUMUNOPENKDUMQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.80
Rot. Bonds8

About 1-benzyl-2-(3-pentylphenoxy)benzene

1-benzyl-2-(3-pentylphenoxy)benzene (PubChem CID 58062192) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-benzyl-2-(3-pentylphenoxy)benzene.

Molecular Properties

Compound Name1-benzyl-2-(3-pentylphenoxy)benzene
PubChem CID58062192
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-benzyl-2-(3-pentylphenoxy)benzene
SMILESCCCCCc1cccc(Oc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C24H26O/c1-2-3-5-11-21-14-10-16-23(19-21)25-24-17-9-8-15-22(24)18-20-12-6-4-7-13-20/h4,6-10,12-17,19H,2-3,5,11,18H2,1H3
InChIKeyQUMUNOPENKDUMQ-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.80
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-pentadecyl-2-phenoxybenzene
CID 101290758
[3-pentyl-4-(3-pentylphenoxy)phenyl]carbamic acid
CID 23451789
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
1-benzyl-3-pentadecylbenzene
CID 173121378
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
3-(3-pentadecylphenoxy)benzene-1,2-dicarbonitrile
CID 18407533
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
1-methoxy-3-nonadecylbenzene
CID 154507578
4-[3-(2-butylphenoxy)phenyl]-1-diethoxyphosphorylbutane-1-sulfonic acid
CID 10553381

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-pentylphenoxy)benzene?
The IUPAC name of 1-benzyl-2-(3-pentylphenoxy)benzene (CID 58062192) is 1-benzyl-2-(3-pentylphenoxy)benzene.
What is the SMILES notation for 1-benzyl-2-(3-pentylphenoxy)benzene?
The canonical SMILES for 1-benzyl-2-(3-pentylphenoxy)benzene is CCCCCc1cccc(Oc2ccccc2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(3-pentylphenoxy)benzene?
The InChIKey is QUMUNOPENKDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-2-3-5-11-21-14-10-16-23(19-21)25-24-17-9-8-15-22(24)18-20-12-6-4-7-13-20/h4,6-10,12-17,19H,2-3,5,11,18H2,1H3.
What are the key properties of 1-benzyl-2-(3-pentylphenoxy)benzene?
1-benzyl-2-(3-pentylphenoxy)benzene has a molecular weight of 330.47 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-pentylphenoxy)benzene is sourced from PubChem (CID 58062192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).