4-(4-phenylphenyl)butan-1-ol

C16H18O — CID 11970468

IUPAC4-(4-phenylphenyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h1-3,7-12,17H,4-6,13H2
InChIKeyRHLVAWHROJGHTG-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds5

About 4-(4-phenylphenyl)butan-1-ol

4-(4-phenylphenyl)butan-1-ol (PubChem CID 11970468) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-phenylphenyl)butan-1-ol
PubChem CID11970468
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-(4-phenylphenyl)butan-1-ol
SMILESOCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h1-3,7-12,17H,4-6,13H2
InChIKeyRHLVAWHROJGHTG-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
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

4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
3-[2-(4-phenylphenyl)ethylamino]propan-1-ol
CID 115217026
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
1-pentadecyl-4-phenylbenzene
CID 57166115
12-(4-anilinophenyl)dodecan-1-ol
CID 101298286
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
3-bromopropylbenzene;6-phenylhexan-1-ol
CID 157464823
1-hex-5-enyl-4-phenylbenzene
CID 59235470
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
1-butyl-4-phenylbenzene;ethane
CID 143743409

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)butan-1-ol?
The IUPAC name of 4-(4-phenylphenyl)butan-1-ol (CID 11970468) is 4-(4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 4-(4-phenylphenyl)butan-1-ol?
The canonical SMILES for 4-(4-phenylphenyl)butan-1-ol is OCCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)butan-1-ol?
The InChIKey is RHLVAWHROJGHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h1-3,7-12,17H,4-6,13H2.
What are the key properties of 4-(4-phenylphenyl)butan-1-ol?
4-(4-phenylphenyl)butan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 11970468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).