1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene

C11H10O — CID 101454331

IUPAC1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
SMILESC#C/C=C\c1ccccc1OC
InChIInChI=1S/C11H10O/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,4-9H,2H3/b7-4-
InChIKeyQQRBGRONURYNPG-DAXSKMNVSA-N
MW158.20 g/mol
LogP2.34
Rot. Bonds2

About 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene

1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene (PubChem CID 101454331) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
PubChem CID101454331
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene
SMILESC#C/C=C\c1ccccc1OC
InChIInChI=1S/C11H10O/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,4-9H,2H3/b7-4-
InChIKeyQQRBGRONURYNPG-DAXSKMNVSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.34
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-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
1-but-1-en-3-ynyl-2-fluorobenzene
CID 123247882
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170
1-[(E)-2-fluorobut-1-en-3-ynyl]-2-methoxybenzene
CID 71504864
2-(2-methoxyphenyl)ethenimine
CID 174865159
4-(2-methoxyphenyl)but-3-en-2-ol
CID 72800651
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene?
The IUPAC name of 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene (CID 101454331) is 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene?
The canonical SMILES for 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene is C#C/C=C\c1ccccc1OC.
What is the InChIKey of 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene?
The InChIKey is QQRBGRONURYNPG-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H10O/c1-3-4-7-10-8-5-6-9-11(10)12-2/h1,4-9H,2H3/b7-4-.
What are the key properties of 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene?
1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene has a molecular weight of 158.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-en-3-ynyl]-2-methoxybenzene is sourced from PubChem (CID 101454331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).