1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene

C13H15ClO — CID 11673009

IUPAC1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene
SMILESC=CCC(=C)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H15ClO/c1-4-5-10(2)9-15-12-6-7-13(14)11(3)8-12/h4,6-8H,1-2,5,9H2,3H3
InChIKeyCMIPXNGBKPNLGP-UHFFFAOYSA-N
MW222.71 g/mol
LogP4.16
Rot. Bonds5

About 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene

1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene (PubChem CID 11673009) has the molecular formula C13H15ClO and a molecular weight of 222.71 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene
PubChem CID11673009
Molecular FormulaC13H15ClO
Molecular Weight222.71 g/mol
Exact Mass222.08
IUPAC Name1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene
SMILESC=CCC(=C)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H15ClO/c1-4-5-10(2)9-15-12-6-7-13(14)11(3)8-12/h4,6-8H,1-2,5,9H2,3H3
InChIKeyCMIPXNGBKPNLGP-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 54.16
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-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-prop-2-enylthiourea
CID 17371289
2-(4-chloro-3-methylphenoxy)-N'-hydroxyethanimidamide
CID 43176403
2-(4-chloro-3-methylphenoxy)ethanimidamide
CID 43185947
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
2-(4-chloro-3-methylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 2987150
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene?
The IUPAC name of 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene (CID 11673009) is 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene.
What is the SMILES notation for 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene?
The canonical SMILES for 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene is C=CCC(=C)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene?
The InChIKey is CMIPXNGBKPNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-4-5-10(2)9-15-12-6-7-13(14)11(3)8-12/h4,6-8H,1-2,5,9H2,3H3.
What are the key properties of 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene?
1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene has a molecular weight of 222.71 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-(2-methylidenepent-4-enoxy)benzene is sourced from PubChem (CID 11673009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).