1-methyl-4-(4-pentylphenoxy)benzene

C18H22O — CID 142415125

IUPAC1-methyl-4-(4-pentylphenoxy)benzene
SMILESCCCCCc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
InChIKeyBELSCHNIDXKNAY-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.52
Rot. Bonds6

About 1-methyl-4-(4-pentylphenoxy)benzene

1-methyl-4-(4-pentylphenoxy)benzene (PubChem CID 142415125) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-methyl-4-(4-pentylphenoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(4-pentylphenoxy)benzene
PubChem CID142415125
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-methyl-4-(4-pentylphenoxy)benzene
SMILESCCCCCc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
InChIKeyBELSCHNIDXKNAY-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-pentylphenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
CID 59959489
CID 59959489
4-(4-dodecylphenoxy)phenol
CID 134258509
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-pentylphenoxy)benzene?
The IUPAC name of 1-methyl-4-(4-pentylphenoxy)benzene (CID 142415125) is 1-methyl-4-(4-pentylphenoxy)benzene.
What is the SMILES notation for 1-methyl-4-(4-pentylphenoxy)benzene?
The canonical SMILES for 1-methyl-4-(4-pentylphenoxy)benzene is CCCCCc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-pentylphenoxy)benzene?
The InChIKey is BELSCHNIDXKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-4-5-6-16-9-13-18(14-10-16)19-17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(4-pentylphenoxy)benzene?
1-methyl-4-(4-pentylphenoxy)benzene has a molecular weight of 254.37 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-pentylphenoxy)benzene is sourced from PubChem (CID 142415125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).