1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene

C25H28O2 — CID 3064819

IUPAC1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
SMILESC1=CC(c2ccc(OCCCOc3ccc(C4C=CCC4)cc3)cc2)CC1
InChIInChI=1S/C25H28O2/c1-2-7-20(6-1)22-10-14-24(15-11-22)26-18-5-19-27-25-16-12-23(13-17-25)21-8-3-4-9-21/h1,3,6,8,10-17,20-21H,2,4-5,7,9,18-19H2
InChIKeyNFQMUVJIERVQDH-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.40
Rot. Bonds8

About 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene

1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene (PubChem CID 3064819) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
PubChem CID3064819
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
SMILESC1=CC(c2ccc(OCCCOc3ccc(C4C=CCC4)cc3)cc2)CC1
InChIInChI=1S/C25H28O2/c1-2-7-20(6-1)22-10-14-24(15-11-22)26-18-5-19-27-25-16-12-23(13-17-25)21-8-3-4-9-21/h1,3,6,8,10-17,20-21H,2,4-5,7,9,18-19H2
InChIKeyNFQMUVJIERVQDH-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-cyclopent-2-en-1-yl-4-prop-2-enoxybenzene
CID 3027235
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
CID 3021337
ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate
CID 13161755
(2R)-1-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-3-[4-[(2S)-3-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 6550525
(2S)-1-[4-[(1S)-cyclopent-2-en-1-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7371477
1,4-bis(3-chloropropoxy)benzene
CID 20523958
4-[4-(3-chloropropoxy)phenyl]cyclohexan-1-one
CID 23150298
3-cyclopent-2-en-1-ylpyridine
CID 131859585
2-[4-(4-methylpentoxy)phenyl]oxirane
CID 146524855
1-cyclohexyl-4-heptoxybenzene
CID 56628106
ethane;methoxymethane;5-methoxy-2-(4-octoxyphenyl)-1,2-dihydropyridine;4-methylcyclohexene
CID 142023830
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene?
The IUPAC name of 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene (CID 3064819) is 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene?
The canonical SMILES for 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene is C1=CC(c2ccc(OCCCOc3ccc(C4C=CCC4)cc3)cc2)CC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene?
The InChIKey is NFQMUVJIERVQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-2-7-20(6-1)22-10-14-24(15-11-22)26-18-5-19-27-25-16-12-23(13-17-25)21-8-3-4-9-21/h1,3,6,8,10-17,20-21H,2,4-5,7,9,18-19H2.
What are the key properties of 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene?
1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene has a molecular weight of 360.50 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene is sourced from PubChem (CID 3064819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).