2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan

C18H22O — CID 135015764

IUPAC2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan
SMILESCCCCCc1ccc(-c2cc3c(o2)CCC3)cc1
InChIInChI=1S/C18H22O/c1-2-3-4-6-14-9-11-15(12-10-14)18-13-16-7-5-8-17(16)19-18/h9-13H,2-8H2,1H3
InChIKeyUSCTWOXPFRJWNU-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan

2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan (PubChem CID 135015764) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan.

Molecular Properties

Compound Name2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan
PubChem CID135015764
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan
SMILESCCCCCc1ccc(-c2cc3c(o2)CCC3)cc1
InChIInChI=1S/C18H22O/c1-2-3-4-6-14-9-11-15(12-10-14)18-13-16-7-5-8-17(16)19-18/h9-13H,2-8H2,1H3
InChIKeyUSCTWOXPFRJWNU-UHFFFAOYSA-N
XLogP5.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
6,16-bis(4-hexylphenyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 156674973
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
6,18-bis(4-dodecylphenyl)-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410843
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
[2-(4-hexylphenyl)cyclopenten-1-yl]methanol
CID 143884141
5-(4-hexylphenyl)-1,2-oxazole
CID 90878874
1-butyl-4-nonylbenzene
CID 59545302
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan?
The IUPAC name of 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan (CID 135015764) is 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan.
What is the SMILES notation for 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan?
The canonical SMILES for 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan is CCCCCc1ccc(-c2cc3c(o2)CCC3)cc1.
What is the InChIKey of 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan?
The InChIKey is USCTWOXPFRJWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-3-4-6-14-9-11-15(12-10-14)18-13-16-7-5-8-17(16)19-18/h9-13H,2-8H2,1H3.
What are the key properties of 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan?
2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan has a molecular weight of 254.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenyl)-5,6-dihydro-4H-cyclopenta[b]furan is sourced from PubChem (CID 135015764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).