6-phenylhexan-2-ylbenzene

C18H22 — CID 19704587

IUPAC6-phenylhexan-2-ylbenzene
SMILESCC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3
InChIKeyVYCJGZZMZFJPAZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.20
Rot. Bonds6

About 6-phenylhexan-2-ylbenzene

6-phenylhexan-2-ylbenzene (PubChem CID 19704587) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-phenylhexan-2-ylbenzene.

Molecular Properties

Compound Name6-phenylhexan-2-ylbenzene
PubChem CID19704587
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name6-phenylhexan-2-ylbenzene
SMILESCC(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3
InChIKeyVYCJGZZMZFJPAZ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
4-(7-phenylheptan-2-yl)pyridine
CID 14883828
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
5-methylheptylbenzene
CID 564254
2,14-diphenylpentadecan-8-ol
CID 71175182
1-decan-2-yl-3-octylbenzene
CID 173491759
5-chloropentan-2-ylbenzene
CID 524354
4-phenylbutylbenzene
CID 141301927
1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
2-methyl-7-phenylheptan-3-ol
CID 10976646
4-methyl-8-phenyloctan-3-ol
CID 114334468
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124

Frequently Asked Questions

What is the IUPAC name of 6-phenylhexan-2-ylbenzene?
The IUPAC name of 6-phenylhexan-2-ylbenzene (CID 19704587) is 6-phenylhexan-2-ylbenzene.
What is the SMILES notation for 6-phenylhexan-2-ylbenzene?
The canonical SMILES for 6-phenylhexan-2-ylbenzene is CC(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 6-phenylhexan-2-ylbenzene?
The InChIKey is VYCJGZZMZFJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3.
What are the key properties of 6-phenylhexan-2-ylbenzene?
6-phenylhexan-2-ylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexan-2-ylbenzene is sourced from PubChem (CID 19704587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).