1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene

C16H15ClO — CID 69117900

IUPAC1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1-c1ccccc1C
InChIInChI=1S/C16H15ClO/c1-3-11-18-15-10-6-9-14(17)16(15)13-8-5-4-7-12(13)2/h3-10H,1,11H2,2H3
InChIKeyGZFXXVXAPJZZAR-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.88
Rot. Bonds4

About 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene

1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene (PubChem CID 69117900) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene
PubChem CID69117900
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1-c1ccccc1C
InChIInChI=1S/C16H15ClO/c1-3-11-18-15-10-6-9-14(17)16(15)13-8-5-4-7-12(13)2/h3-10H,1,11H2,2H3
InChIKeyGZFXXVXAPJZZAR-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene?
The IUPAC name of 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene (CID 69117900) is 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene.
What is the SMILES notation for 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene?
The canonical SMILES for 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene is C=CCOc1cccc(Cl)c1-c1ccccc1C.
What is the InChIKey of 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene?
The InChIKey is GZFXXVXAPJZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-3-11-18-15-10-6-9-14(17)16(15)13-8-5-4-7-12(13)2/h3-10H,1,11H2,2H3.
What are the key properties of 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene?
1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene has a molecular weight of 258.75 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene is sourced from PubChem (CID 69117900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).