1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene

C11H13ClO — CID 131589016

IUPAC1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(/C)CCl
InChIInChI=1S/C11H13ClO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-7H,8H2,1-2H3/b9-7-
InChIKeyIUINMNPYMGHGCF-CLFYSBASSA-N
MW196.68 g/mol
LogP3.34
Rot. Bonds3

About 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene

1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene (PubChem CID 131589016) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
PubChem CID131589016
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(/C)CCl
InChIInChI=1S/C11H13ClO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-7H,8H2,1-2H3/b9-7-
InChIKeyIUINMNPYMGHGCF-CLFYSBASSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329267
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 131843568
1-[(1E,3E)-2,3-diisocyano-4-(2-methoxyphenyl)buta-1,3-dienyl]-2-methoxybenzene
CID 86626449
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 102363599
1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
CID 15396657
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxobutanoate
CID 70489657
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene (CID 131589016) is 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene is COc1ccccc1/C=C(/C)CCl.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene?
The InChIKey is IUINMNPYMGHGCF-CLFYSBASSA-N. The full InChI is InChI=1S/C11H13ClO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-7H,8H2,1-2H3/b9-7-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene?
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene has a molecular weight of 196.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene is sourced from PubChem (CID 131589016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).