5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene

C12H15ClO — CID 142565280

IUPAC5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(CCl)cc(OC)c1C
InChIInChI=1S/C12H15ClO/c1-4-5-11-6-10(8-13)7-12(14-3)9(11)2/h4-7H,8H2,1-3H3/b5-4-
InChIKeyONFQHDROYKYGCX-PLNGDYQASA-N
MW210.70 g/mol
LogP3.78
Rot. Bonds3

About 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene

5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene (PubChem CID 142565280) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene
PubChem CID142565280
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(CCl)cc(OC)c1C
InChIInChI=1S/C12H15ClO/c1-4-5-11-6-10(8-13)7-12(14-3)9(11)2/h4-7H,8H2,1-3H3/b5-4-
InChIKeyONFQHDROYKYGCX-PLNGDYQASA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene (CID 142565280) is 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene is C/C=C\c1cc(CCl)cc(OC)c1C.
What is the InChIKey of 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene?
The InChIKey is ONFQHDROYKYGCX-PLNGDYQASA-N. The full InChI is InChI=1S/C12H15ClO/c1-4-5-11-6-10(8-13)7-12(14-3)9(11)2/h4-7H,8H2,1-3H3/b5-4-.
What are the key properties of 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene?
5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene has a molecular weight of 210.70 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-methoxy-2-methyl-3-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 142565280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).