3-[4-(4-pentylphenyl)phenyl]propan-1-ol

C20H26O — CID 86125819

IUPAC3-[4-(4-pentylphenyl)phenyl]propan-1-ol
SMILESCCCCCc1ccc(-c2ccc(CCCO)cc2)cc1
InChIInChI=1S/C20H26O/c1-2-3-4-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-16-21/h8-15,21H,2-7,16H2,1H3
InChIKeyAHGHFFITEFIDRL-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.01
Rot. Bonds8

About 3-[4-(4-pentylphenyl)phenyl]propan-1-ol

3-[4-(4-pentylphenyl)phenyl]propan-1-ol (PubChem CID 86125819) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[4-(4-pentylphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-pentylphenyl)phenyl]propan-1-ol
PubChem CID86125819
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name3-[4-(4-pentylphenyl)phenyl]propan-1-ol
SMILESCCCCCc1ccc(-c2ccc(CCCO)cc2)cc1
InChIInChI=1S/C20H26O/c1-2-3-4-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-16-21/h8-15,21H,2-7,16H2,1H3
InChIKeyAHGHFFITEFIDRL-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.01
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-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
4-(4-propylphenyl)butan-1-ol
CID 10511962
4-(4-dodecylphenyl)benzoic acid
CID 3092136
1-pentadecyl-4-phenylbenzene
CID 57166115
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
CID 18552265
4-(4-octadecylphenyl)benzenethiol
CID 134936183
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pentylphenyl)phenyl]propan-1-ol?
The IUPAC name of 3-[4-(4-pentylphenyl)phenyl]propan-1-ol (CID 86125819) is 3-[4-(4-pentylphenyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-pentylphenyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-(4-pentylphenyl)phenyl]propan-1-ol is CCCCCc1ccc(-c2ccc(CCCO)cc2)cc1.
What is the InChIKey of 3-[4-(4-pentylphenyl)phenyl]propan-1-ol?
The InChIKey is AHGHFFITEFIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-2-3-4-6-17-8-12-19(13-9-17)20-14-10-18(11-15-20)7-5-16-21/h8-15,21H,2-7,16H2,1H3.
What are the key properties of 3-[4-(4-pentylphenyl)phenyl]propan-1-ol?
3-[4-(4-pentylphenyl)phenyl]propan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pentylphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 86125819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).