1-(4-methylpentoxy)-4-phenylbenzene

C18H22O — CID 19777688

IUPAC1-(4-methylpentoxy)-4-phenylbenzene
SMILESCC(C)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-15(2)7-6-14-19-18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,15H,6-7,14H2,1-2H3
InChIKeyNTTFCTJSPAPOBB-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.17
Rot. Bonds6

About 1-(4-methylpentoxy)-4-phenylbenzene

1-(4-methylpentoxy)-4-phenylbenzene (PubChem CID 19777688) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-methylpentoxy)-4-phenylbenzene
PubChem CID19777688
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(4-methylpentoxy)-4-phenylbenzene
SMILESCC(C)CCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-15(2)7-6-14-19-18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,15H,6-7,14H2,1-2H3
InChIKeyNTTFCTJSPAPOBB-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylpentoxy)-4-phenylbenzene 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-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
1-pentoxy-4-phenylbenzene
CID 7021155
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
4-(4-methylpentoxy)benzoic acid
CID 22645282
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
2-[3-(4-phenylphenoxy)propyl]nonanenitrile
CID 67732048
ethyl 4-[4-(4-methylpentoxy)phenyl]benzoate
CID 139312454

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-4-phenylbenzene?
The IUPAC name of 1-(4-methylpentoxy)-4-phenylbenzene (CID 19777688) is 1-(4-methylpentoxy)-4-phenylbenzene.
What is the SMILES notation for 1-(4-methylpentoxy)-4-phenylbenzene?
The canonical SMILES for 1-(4-methylpentoxy)-4-phenylbenzene is CC(C)CCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylpentoxy)-4-phenylbenzene?
The InChIKey is NTTFCTJSPAPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-15(2)7-6-14-19-18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,15H,6-7,14H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)-4-phenylbenzene?
1-(4-methylpentoxy)-4-phenylbenzene has a molecular weight of 254.37 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-4-phenylbenzene is sourced from PubChem (CID 19777688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).