6-(3-phenoxyphenyl)hexan-1-ol

C18H22O2 — CID 70473652

IUPAC6-(3-phenoxyphenyl)hexan-1-ol
SMILESOCCCCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-14-7-2-1-4-9-16-10-8-13-18(15-16)20-17-11-5-3-6-12-17/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2
InChIKeyCJXROJHKFXHWMR-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.57
Rot. Bonds8

About 6-(3-phenoxyphenyl)hexan-1-ol

6-(3-phenoxyphenyl)hexan-1-ol (PubChem CID 70473652) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(3-phenoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name6-(3-phenoxyphenyl)hexan-1-ol
PubChem CID70473652
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name6-(3-phenoxyphenyl)hexan-1-ol
SMILESOCCCCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22O2/c19-14-7-2-1-4-9-16-10-8-13-18(15-16)20-17-11-5-3-6-12-17/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2
InChIKeyCJXROJHKFXHWMR-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
5-[4-(3-ethylphenoxy)phenyl]pentan-1-ol
CID 139655848
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
CID 139655740
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxyphenyl)hexan-1-ol?
The IUPAC name of 6-(3-phenoxyphenyl)hexan-1-ol (CID 70473652) is 6-(3-phenoxyphenyl)hexan-1-ol.
What is the SMILES notation for 6-(3-phenoxyphenyl)hexan-1-ol?
The canonical SMILES for 6-(3-phenoxyphenyl)hexan-1-ol is OCCCCCCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 6-(3-phenoxyphenyl)hexan-1-ol?
The InChIKey is CJXROJHKFXHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-14-7-2-1-4-9-16-10-8-13-18(15-16)20-17-11-5-3-6-12-17/h3,5-6,8,10-13,15,19H,1-2,4,7,9,14H2.
What are the key properties of 6-(3-phenoxyphenyl)hexan-1-ol?
6-(3-phenoxyphenyl)hexan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxyphenyl)hexan-1-ol is sourced from PubChem (CID 70473652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).