1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene

C15H22O — CID 83939747

IUPAC1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C15H22O/c1-6-7-11(2)10-14-8-9-15(16-5)13(4)12(14)3/h6-9,11H,10H2,1-5H3/b7-6-
InChIKeyWDTJRKPUJXEKRO-SREVYHEPSA-N
MW218.34 g/mol
LogP4.07
Rot. Bonds4

About 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene

1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene (PubChem CID 83939747) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
PubChem CID83939747
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C15H22O/c1-6-7-11(2)10-14-8-9-15(16-5)13(4)12(14)3/h6-9,11H,10H2,1-5H3/b7-6-
InChIKeyWDTJRKPUJXEKRO-SREVYHEPSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.07
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

2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
CID 83921455
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutanenitrile
CID 116931708
2-[(4-methoxy-2,3-dimethylphenyl)methyl]propanedioic acid
CID 170895399
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
3-(4-methoxy-2,3-dimethylphenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 70514709
3-(4-methoxy-2,3-dimethylphenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 70514708
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene (CID 83939747) is 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene is C/C=C\C(C)Cc1ccc(OC)c(C)c1C.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene?
The InChIKey is WDTJRKPUJXEKRO-SREVYHEPSA-N. The full InChI is InChI=1S/C15H22O/c1-6-7-11(2)10-14-8-9-15(16-5)13(4)12(14)3/h6-9,11H,10H2,1-5H3/b7-6-.
What are the key properties of 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene?
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene is sourced from PubChem (CID 83939747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).