1-[4-(4-hexylphenyl)phenyl]propan-1-ol

C21H28O — CID 19979106

IUPAC1-[4-(4-hexylphenyl)phenyl]propan-1-ol
SMILESCCCCCCc1ccc(-c2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C21H28O/c1-3-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)4-2/h9-16,21-22H,3-8H2,1-2H3
InChIKeyYAJRLGDSDPBZEC-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.92
Rot. Bonds8

About 1-[4-(4-hexylphenyl)phenyl]propan-1-ol

1-[4-(4-hexylphenyl)phenyl]propan-1-ol (PubChem CID 19979106) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-(4-hexylphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(4-hexylphenyl)phenyl]propan-1-ol
PubChem CID19979106
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name1-[4-(4-hexylphenyl)phenyl]propan-1-ol
SMILESCCCCCCc1ccc(-c2ccc(C(O)CC)cc2)cc1
InChIInChI=1S/C21H28O/c1-3-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)4-2/h9-16,21-22H,3-8H2,1-2H3
InChIKeyYAJRLGDSDPBZEC-UHFFFAOYSA-N
XLogP5.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
bis(4-tridecylphenyl)methanol
CID 139673626
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
1-(diethoxymethyl)-4-(4-heptylphenyl)benzene
CID 146004754
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-(4-butylphenyl)butan-1-ol
CID 61088483
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hexylphenyl)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(4-hexylphenyl)phenyl]propan-1-ol (CID 19979106) is 1-[4-(4-hexylphenyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(4-hexylphenyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(4-hexylphenyl)phenyl]propan-1-ol is CCCCCCc1ccc(-c2ccc(C(O)CC)cc2)cc1.
What is the InChIKey of 1-[4-(4-hexylphenyl)phenyl]propan-1-ol?
The InChIKey is YAJRLGDSDPBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-3-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)4-2/h9-16,21-22H,3-8H2,1-2H3.
What are the key properties of 1-[4-(4-hexylphenyl)phenyl]propan-1-ol?
1-[4-(4-hexylphenyl)phenyl]propan-1-ol has a molecular weight of 296.45 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hexylphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 19979106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).