(Z)-but-2-ene;1-methoxy-4-methylbenzene

C12H18O — CID 143799535

IUPAC(Z)-but-2-ene;1-methoxy-4-methylbenzene
SMILESC/C=C\C.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C4H8/c1-7-3-5-8(9-2)6-4-7;1-3-4-2/h3-6H,1-2H3;3-4H,1-2H3/b;4-3-
InChIKeyFCROECNIHARLQU-QGAMPUOQSA-N
MW178.28 g/mol
LogP3.59
Rot. Bonds1

About (Z)-but-2-ene;1-methoxy-4-methylbenzene

(Z)-but-2-ene;1-methoxy-4-methylbenzene (PubChem CID 143799535) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-but-2-ene;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name(Z)-but-2-ene;1-methoxy-4-methylbenzene
PubChem CID143799535
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(Z)-but-2-ene;1-methoxy-4-methylbenzene
SMILESC/C=C\C.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C4H8/c1-7-3-5-8(9-2)6-4-7;1-3-4-2/h3-6H,1-2H3;3-4H,1-2H3/b;4-3-
InChIKeyFCROECNIHARLQU-QGAMPUOQSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
4-methoxyphenol;4-methylphenol
CID 158312507
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;1-methoxy-4-methylbenzene?
The IUPAC name of (Z)-but-2-ene;1-methoxy-4-methylbenzene (CID 143799535) is (Z)-but-2-ene;1-methoxy-4-methylbenzene.
What is the SMILES notation for (Z)-but-2-ene;1-methoxy-4-methylbenzene?
The canonical SMILES for (Z)-but-2-ene;1-methoxy-4-methylbenzene is C/C=C\C.COc1ccc(C)cc1.
What is the InChIKey of (Z)-but-2-ene;1-methoxy-4-methylbenzene?
The InChIKey is FCROECNIHARLQU-QGAMPUOQSA-N. The full InChI is InChI=1S/C8H10O.C4H8/c1-7-3-5-8(9-2)6-4-7;1-3-4-2/h3-6H,1-2H3;3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;1-methoxy-4-methylbenzene?
(Z)-but-2-ene;1-methoxy-4-methylbenzene has a molecular weight of 178.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;1-methoxy-4-methylbenzene is sourced from PubChem (CID 143799535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).