1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene

C24H34O — CID 67292261

IUPAC1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene
SMILESCCCCCc1ccccc1COCc1ccccc1CCCCC
InChIInChI=1S/C24H34O/c1-3-5-7-13-21-15-9-11-17-23(21)19-25-20-24-18-12-10-16-22(24)14-8-6-4-2/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKeyMCNDISBYVWQODZ-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.87
Rot. Bonds12

About 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene

1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene (PubChem CID 67292261) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene
PubChem CID67292261
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene
SMILESCCCCCc1ccccc1COCc1ccccc1CCCCC
InChIInChI=1S/C24H34O/c1-3-5-7-13-21-15-9-11-17-23(21)19-25-20-24-18-12-10-16-22(24)14-8-6-4-2/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKeyMCNDISBYVWQODZ-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.87
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-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
1-(chloromethyl)-2-decylbenzene
CID 14385709
1-ethyl-2-henicosylbenzene
CID 141174443
CID 159940559
CID 159940559
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
1-(bromomethyl)-2-pentylbenzene
CID 19779718
1,2-didecylbenzene;phosphonous acid
CID 70526437

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene (CID 67292261) is 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene is CCCCCc1ccccc1COCc1ccccc1CCCCC.
What is the InChIKey of 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene?
The InChIKey is MCNDISBYVWQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-3-5-7-13-21-15-9-11-17-23(21)19-25-20-24-18-12-10-16-22(24)14-8-6-4-2/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3.
What are the key properties of 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene?
1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene has a molecular weight of 338.54 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-[(2-pentylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 67292261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).