1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene

C20H26O — CID 18657244

IUPAC1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
SMILESCCCC1CCC(/C=C/C#Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H26O/c1-3-6-17-9-11-18(12-10-17)7-4-5-8-19-13-15-20(21-2)16-14-19/h4,7,13-18H,3,6,9-12H2,1-2H3/b7-4+
InChIKeyRANMDUIOFWAAOR-QPJJXVBHSA-N
MW282.43 g/mol
LogP5.21
Rot. Bonds4

About 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene

1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene (PubChem CID 18657244) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
PubChem CID18657244
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
SMILESCCCC1CCC(/C=C/C#Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H26O/c1-3-6-17-9-11-18(12-10-17)7-4-5-8-19-13-15-20(21-2)16-14-19/h4,7,13-18H,3,6,9-12H2,1-2H3/b7-4+
InChIKeyRANMDUIOFWAAOR-QPJJXVBHSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657203
1-fluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
CID 18657234
1-butoxy-4-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]benzene
CID 54552723
1-pentyl-4-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]benzene
CID 54156877
1-[(E)-4-(4-pentylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 18657404
1-[4-(4-ethylcyclohexyl)but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54231732
1-pentyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 54166796
1-(4-butylcyclohexyl)-4-[(E)-4-[4-(4-pentoxyphenyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657314
1-[(E)-4-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]but-3-en-1-ynyl]-4-ethylbenzene
CID 18657205
1-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]-4-(trifluoromethoxy)benzene
CID 54336754
1-ethoxy-4-[(E)-6-(4-propylcyclohexyl)hex-3-en-1,5-diynyl]benzene
CID 19425017
1-ethoxy-4-[[4-[4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]methoxy]benzene
CID 54568088

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene (CID 18657244) is 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene is CCCC1CCC(/C=C/C#Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
The InChIKey is RANMDUIOFWAAOR-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H26O/c1-3-6-17-9-11-18(12-10-17)7-4-5-8-19-13-15-20(21-2)16-14-19/h4,7,13-18H,3,6,9-12H2,1-2H3/b7-4+.
What are the key properties of 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene?
1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene is sourced from PubChem (CID 18657244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).