1-methyl-3-[(Z)-prop-1-enoxy]benzene

C10H12O — CID 643746

IUPAC1-methyl-3-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cccc(C)c1
InChIInChI=1S/C10H12O/c1-3-7-11-10-6-4-5-9(2)8-10/h3-8H,1-2H3/b7-3-
InChIKeyOLFIFAUJRZTQNI-CLTKARDFSA-N
MW148.20 g/mol
LogP2.91
Rot. Bonds2

About 1-methyl-3-[(Z)-prop-1-enoxy]benzene

1-methyl-3-[(Z)-prop-1-enoxy]benzene (PubChem CID 643746) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-methyl-3-[(Z)-prop-1-enoxy]benzene
PubChem CID643746
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methyl-3-[(Z)-prop-1-enoxy]benzene
SMILESC/C=C\Oc1cccc(C)c1
InChIInChI=1S/C10H12O/c1-3-7-11-10-6-4-5-9(2)8-10/h3-8H,1-2H3/b7-3-
InChIKeyOLFIFAUJRZTQNI-CLTKARDFSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-3-[(E)-prop-1-enoxy]benzene;prop-1-ene
CID 143800942
1-methoxy-3-[(Z)-prop-1-enoxy]benzene
CID 643895
CID 99943988
CID 99943988
3-methoxy-5-[2-(3-methylphenoxy)ethenyl]phenol
CID 74338652
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
1-methyl-3-[(E)-2-methylbut-2-enoxy]benzene
CID 142973314
ethenyl-bis(3-methylphenoxy)borane
CID 68503964
1-methyl-3-methylsulfanyloxybenzene
CID 58741885
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
(3-methylphenyl) N-(2-aminophenyl)methanimidate
CID 123802454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-prop-1-enoxy]benzene?
The IUPAC name of 1-methyl-3-[(Z)-prop-1-enoxy]benzene (CID 643746) is 1-methyl-3-[(Z)-prop-1-enoxy]benzene.
What is the SMILES notation for 1-methyl-3-[(Z)-prop-1-enoxy]benzene?
The canonical SMILES for 1-methyl-3-[(Z)-prop-1-enoxy]benzene is C/C=C\Oc1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(Z)-prop-1-enoxy]benzene?
The InChIKey is OLFIFAUJRZTQNI-CLTKARDFSA-N. The full InChI is InChI=1S/C10H12O/c1-3-7-11-10-6-4-5-9(2)8-10/h3-8H,1-2H3/b7-3-.
What are the key properties of 1-methyl-3-[(Z)-prop-1-enoxy]benzene?
1-methyl-3-[(Z)-prop-1-enoxy]benzene has a molecular weight of 148.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-prop-1-enoxy]benzene is sourced from PubChem (CID 643746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).