1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene

C18H19FO — CID 54276492

IUPAC1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(CC=CF)cc2)cc1
InChIInChI=1S/C18H19FO/c1-2-14-20-18-11-9-17(10-12-18)16-7-5-15(6-8-16)4-3-13-19/h3,5-13H,2,4,14H2,1H3
InChIKeyRNTSMPWTHXMJTP-UHFFFAOYSA-N
MW270.35 g/mol
LogP5.17
Rot. Bonds6

About 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene

1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene (PubChem CID 54276492) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene
PubChem CID54276492
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(CC=CF)cc2)cc1
InChIInChI=1S/C18H19FO/c1-2-14-20-18-11-9-17(10-12-18)16-7-5-15(6-8-16)4-3-13-19/h3,5-13H,2,4,14H2,1H3
InChIKeyRNTSMPWTHXMJTP-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-butoxy-4-[4-(chloromethyl)phenyl]benzene
CID 71424313
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene (CID 54276492) is 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(CC=CF)cc2)cc1.
What is the InChIKey of 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene?
The InChIKey is RNTSMPWTHXMJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-2-14-20-18-11-9-17(10-12-18)16-7-5-15(6-8-16)4-3-13-19/h3,5-13H,2,4,14H2,1H3.
What are the key properties of 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene?
1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene has a molecular weight of 270.35 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroprop-2-enyl)-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 54276492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).