2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene

C14H20O — CID 83933072

IUPAC2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
SMILESC/C=C\CC(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O/c1-5-6-7-12(3)13-10-11(2)8-9-14(13)15-4/h5-6,8-10,12H,7H2,1-4H3/b6-5-
InChIKeyKGZDECXSFBCMIG-WAYWQWQTSA-N
MW204.31 g/mol
LogP4.07
Rot. Bonds4

About 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene

2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene (PubChem CID 83933072) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
PubChem CID83933072
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
SMILESC/C=C\CC(C)c1cc(C)ccc1OC
InChIInChI=1S/C14H20O/c1-5-6-7-12(3)13-10-11(2)8-9-14(13)15-4/h5-6,8-10,12H,7H2,1-4H3/b6-5-
InChIKeyKGZDECXSFBCMIG-WAYWQWQTSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
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-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
3-(5-bromo-2-methoxyphenyl)butanal
CID 83844200
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene (CID 83933072) is 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene is C/C=C\CC(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene?
The InChIKey is KGZDECXSFBCMIG-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-7-12(3)13-10-11(2)8-9-14(13)15-4/h5-6,8-10,12H,7H2,1-4H3/b6-5-.
What are the key properties of 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene?
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene has a molecular weight of 204.31 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 2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 83933072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).