5-(3-chloroprop-1-enyl)-2-methoxyphenol

C10H11ClO2 — CID 169477190

IUPAC5-(3-chloroprop-1-enyl)-2-methoxyphenol
SMILESCOc1ccc(C=CCCl)cc1O
InChIInChI=1S/C10H11ClO2/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h2-5,7,12H,6H2,1H3
InChIKeyWPWXJWACXJYMBB-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.65
Rot. Bonds3

About 5-(3-chloroprop-1-enyl)-2-methoxyphenol

5-(3-chloroprop-1-enyl)-2-methoxyphenol (PubChem CID 169477190) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-(3-chloroprop-1-enyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(3-chloroprop-1-enyl)-2-methoxyphenol
PubChem CID169477190
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name5-(3-chloroprop-1-enyl)-2-methoxyphenol
SMILESCOc1ccc(C=CCCl)cc1O
InChIInChI=1S/C10H11ClO2/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h2-5,7,12H,6H2,1H3
InChIKeyWPWXJWACXJYMBB-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-chloroprop-1-enyl)-2-methoxyphenol?
The IUPAC name of 5-(3-chloroprop-1-enyl)-2-methoxyphenol (CID 169477190) is 5-(3-chloroprop-1-enyl)-2-methoxyphenol.
What is the SMILES notation for 5-(3-chloroprop-1-enyl)-2-methoxyphenol?
The canonical SMILES for 5-(3-chloroprop-1-enyl)-2-methoxyphenol is COc1ccc(C=CCCl)cc1O.
What is the InChIKey of 5-(3-chloroprop-1-enyl)-2-methoxyphenol?
The InChIKey is WPWXJWACXJYMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h2-5,7,12H,6H2,1H3.
What are the key properties of 5-(3-chloroprop-1-enyl)-2-methoxyphenol?
5-(3-chloroprop-1-enyl)-2-methoxyphenol has a molecular weight of 198.65 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroprop-1-enyl)-2-methoxyphenol is sourced from PubChem (CID 169477190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).