1-phenoxy-3-(3-phenylpropyl)benzene

C21H20O — CID 173282204

IUPAC1-phenoxy-3-(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H20O/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)22-20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2
InChIKeyOHPSGUUIPFKSRA-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.65
Rot. Bonds6

About 1-phenoxy-3-(3-phenylpropyl)benzene

1-phenoxy-3-(3-phenylpropyl)benzene (PubChem CID 173282204) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-phenoxy-3-(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-phenoxy-3-(3-phenylpropyl)benzene
PubChem CID173282204
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1-phenoxy-3-(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H20O/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)22-20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2
InChIKeyOHPSGUUIPFKSRA-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
N-[3-(3-phenoxyphenyl)propyl]nitrous amide
CID 19736886
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-(3-phenylpropyl)benzene?
The IUPAC name of 1-phenoxy-3-(3-phenylpropyl)benzene (CID 173282204) is 1-phenoxy-3-(3-phenylpropyl)benzene.
What is the SMILES notation for 1-phenoxy-3-(3-phenylpropyl)benzene?
The canonical SMILES for 1-phenoxy-3-(3-phenylpropyl)benzene is c1ccc(CCCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-phenoxy-3-(3-phenylpropyl)benzene?
The InChIKey is OHPSGUUIPFKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)22-20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2.
What are the key properties of 1-phenoxy-3-(3-phenylpropyl)benzene?
1-phenoxy-3-(3-phenylpropyl)benzene has a molecular weight of 288.39 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-(3-phenylpropyl)benzene is sourced from PubChem (CID 173282204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).