1-(3-chloroprop-2-enoxy)-3-methylbenzene

C10H11ClO — CID 554611

IUPAC1-(3-chloroprop-2-enoxy)-3-methylbenzene
SMILESCc1cccc(OCC=CCl)c1
InChIInChI=1S/C10H11ClO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2-6,8H,7H2,1H3
InChIKeyVYWUABACHYXCLC-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-chloroprop-2-enoxy)-3-methylbenzene

1-(3-chloroprop-2-enoxy)-3-methylbenzene (PubChem CID 554611) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-(3-chloroprop-2-enoxy)-3-methylbenzene.

Molecular Properties

Compound Name1-(3-chloroprop-2-enoxy)-3-methylbenzene
PubChem CID554611
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-(3-chloroprop-2-enoxy)-3-methylbenzene
SMILESCc1cccc(OCC=CCl)c1
InChIInChI=1S/C10H11ClO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2-6,8H,7H2,1H3
InChIKeyVYWUABACHYXCLC-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60880709
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[(E)-3-chloroprop-2-enoxy]-3-isocyanatobenzene
CID 119089268
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-[(E)-3-chloroprop-2-enoxy]-4-methylaniline
CID 107899443
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-methyl-3-[(E)-2-methylbut-2-enoxy]benzene
CID 142973314
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
2-ethyl-4-(3-methylphenoxy)but-2-enoic acid
CID 77100463
1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-2-enoxy)-3-methylbenzene?
The IUPAC name of 1-(3-chloroprop-2-enoxy)-3-methylbenzene (CID 554611) is 1-(3-chloroprop-2-enoxy)-3-methylbenzene.
What is the SMILES notation for 1-(3-chloroprop-2-enoxy)-3-methylbenzene?
The canonical SMILES for 1-(3-chloroprop-2-enoxy)-3-methylbenzene is Cc1cccc(OCC=CCl)c1.
What is the InChIKey of 1-(3-chloroprop-2-enoxy)-3-methylbenzene?
The InChIKey is VYWUABACHYXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2-6,8H,7H2,1H3.
What are the key properties of 1-(3-chloroprop-2-enoxy)-3-methylbenzene?
1-(3-chloroprop-2-enoxy)-3-methylbenzene has a molecular weight of 182.65 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-2-enoxy)-3-methylbenzene is sourced from PubChem (CID 554611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).