1-(cyclopenten-1-yl)-4-phenoxybenzene

C17H16O — CID 57119674

IUPAC1-(cyclopenten-1-yl)-4-phenoxybenzene
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)CCC1
InChIInChI=1S/C17H16O/c1-2-8-16(9-3-1)18-17-12-10-15(11-13-17)14-6-4-5-7-14/h1-3,6,8-13H,4-5,7H2
InChIKeyVFKRWFJQNACJND-UHFFFAOYSA-N
MW236.31 g/mol
LogP5.05
Rot. Bonds3

About 1-(cyclopenten-1-yl)-4-phenoxybenzene

1-(cyclopenten-1-yl)-4-phenoxybenzene (PubChem CID 57119674) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-4-phenoxybenzene
PubChem CID57119674
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-(cyclopenten-1-yl)-4-phenoxybenzene
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)CCC1
InChIInChI=1S/C17H16O/c1-2-8-16(9-3-1)18-17-12-10-15(11-13-17)14-6-4-5-7-14/h1-3,6,8-13H,4-5,7H2
InChIKeyVFKRWFJQNACJND-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopenten-1-yl)-3-(4-fluorophenoxy)benzene
CID 141023551
1-(4-phenylphenyl)cycloheptene
CID 58982123
1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine
CID 155571905
oxophosphanium;phenoxybenzene
CID 161329594
CID 159259752
CID 159259752
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
[4-[(1E)-cycloocten-1-yl]phenyl]-phenylmethanone
CID 101228026
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
(1R,4R)-2-(4-phenoxyphenyl)-5-phenylbicyclo[2.2.2]octa-2,5-diene
CID 59051323
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-4-phenoxybenzene?
The IUPAC name of 1-(cyclopenten-1-yl)-4-phenoxybenzene (CID 57119674) is 1-(cyclopenten-1-yl)-4-phenoxybenzene.
What is the SMILES notation for 1-(cyclopenten-1-yl)-4-phenoxybenzene?
The canonical SMILES for 1-(cyclopenten-1-yl)-4-phenoxybenzene is C1=C(c2ccc(Oc3ccccc3)cc2)CCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-4-phenoxybenzene?
The InChIKey is VFKRWFJQNACJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-8-16(9-3-1)18-17-12-10-15(11-13-17)14-6-4-5-7-14/h1-3,6,8-13H,4-5,7H2.
What are the key properties of 1-(cyclopenten-1-yl)-4-phenoxybenzene?
1-(cyclopenten-1-yl)-4-phenoxybenzene has a molecular weight of 236.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-4-phenoxybenzene is sourced from PubChem (CID 57119674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).