2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene

C21H26 — CID 178165735

IUPAC2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene
SMILESCC/C=C\c1c(CC)cccc1-c1ccc(CCC)cc1
InChIInChI=1S/C21H26/c1-4-7-11-20-18(6-3)10-8-12-21(20)19-15-13-17(9-5-2)14-16-19/h7-8,10-16H,4-6,9H2,1-3H3/b11-7-
InChIKeyONOVHQJULIGJEN-XFFZJAGNSA-N
MW278.44 g/mol
LogP6.29
Rot. Bonds6

About 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene

2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene (PubChem CID 178165735) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene
PubChem CID178165735
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene
SMILESCC/C=C\c1c(CC)cccc1-c1ccc(CCC)cc1
InChIInChI=1S/C21H26/c1-4-7-11-20-18(6-3)10-8-12-21(20)19-15-13-17(9-5-2)14-16-19/h7-8,10-16H,4-6,9H2,1-3H3/b11-7-
InChIKeyONOVHQJULIGJEN-XFFZJAGNSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene?
The IUPAC name of 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene (CID 178165735) is 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene is CC/C=C\c1c(CC)cccc1-c1ccc(CCC)cc1.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene?
The InChIKey is ONOVHQJULIGJEN-XFFZJAGNSA-N. The full InChI is InChI=1S/C21H26/c1-4-7-11-20-18(6-3)10-8-12-21(20)19-15-13-17(9-5-2)14-16-19/h7-8,10-16H,4-6,9H2,1-3H3/b11-7-.
What are the key properties of 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene?
2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene has a molecular weight of 278.44 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1-ethyl-3-(4-propylphenyl)benzene is sourced from PubChem (CID 178165735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).