1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene

C12H12O2 — CID 10035380

IUPAC1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
SMILESCO/C=C\C#Cc1ccc(OC)cc1
InChIInChI=1S/C12H12O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h4,6-10H,1-2H3/b10-4-
InChIKeyLVXVFZDOXLJEKW-WMZJFQQLSA-N
MW188.23 g/mol
LogP2.21
Rot. Bonds2

About 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene

1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene (PubChem CID 10035380) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
PubChem CID10035380
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
SMILESCO/C=C\C#Cc1ccc(OC)cc1
InChIInChI=1S/C12H12O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h4,6-10H,1-2H3/b10-4-
InChIKeyLVXVFZDOXLJEKW-WMZJFQQLSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
CID 11737150
1-ethyl-4-[6-(4-methoxyphenyl)hex-3-en-1,5-diynyl]benzene
CID 54570199
1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
CID 102111194
1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
CID 102460200
tert-butyl (E)-5-(4-methoxyphenyl)pent-2-en-4-ynoate
CID 102425561
1,2,3-trimethoxy-5-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
CID 11587853
1-fluoro-3-[(E)-4-methoxybut-3-en-1-ynyl]benzene
CID 84618099
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
1-methoxy-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]benzene
CID 18657244
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene (CID 10035380) is 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene is CO/C=C\C#Cc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene?
The InChIKey is LVXVFZDOXLJEKW-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H12O2/c1-13-10-4-3-5-11-6-8-12(14-2)9-7-11/h4,6-10H,1-2H3/b10-4-.
What are the key properties of 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene?
1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene has a molecular weight of 188.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene is sourced from PubChem (CID 10035380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).