1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene

C20H22O — CID 19841044

IUPAC1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene
SMILESC1=CC(OCCCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22O/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)7-6-16-21-20-10-4-5-11-20/h1-4,8-10,12-15,20H,5-7,11,16H2
InChIKeyMZCKICQCYHTSOU-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.02
Rot. Bonds6

About 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene

1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene (PubChem CID 19841044) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene
PubChem CID19841044
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene
SMILESC1=CC(OCCCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22O/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)7-6-16-21-20-10-4-5-11-20/h1-4,8-10,12-15,20H,5-7,11,16H2
InChIKeyMZCKICQCYHTSOU-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
CID 144529149
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
[(1R)-cyclopent-2-en-1-yl]oxybenzene
CID 135011390
1-(3-cyclohexyloxypropyl)-4-methylbenzene
CID 59931440
3-phenylmethoxycycloheptene
CID 12512694
1,1'-biphenyl;3-chlorocyclopentene
CID 162026727
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-butyl-4-phenylbenzene;ethane
CID 143743409
4-(4-phenylphenyl)butan-1-ol
CID 11970468
3-(3-phenylpropoxy)cyclopentan-1-ol
CID 79632249
ethane;3-(2-methylcyclopentyl)oxypropylbenzene
CID 145106111
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene?
The IUPAC name of 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene (CID 19841044) is 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene.
What is the SMILES notation for 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene?
The canonical SMILES for 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene is C1=CC(OCCCc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene?
The InChIKey is MZCKICQCYHTSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)7-6-16-21-20-10-4-5-11-20/h1-4,8-10,12-15,20H,5-7,11,16H2.
What are the key properties of 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene?
1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene has a molecular weight of 278.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopent-2-en-1-yloxypropyl)-4-phenylbenzene is sourced from PubChem (CID 19841044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).