2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene

C16H15ClO2 — CID 50888850

IUPAC2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-2-10-18-16-9-8-14(11-15(16)17)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2
InChIKeyRSEZOQPQDFLBPC-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.48
Rot. Bonds6

About 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene

2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene (PubChem CID 50888850) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
PubChem CID50888850
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C16H15ClO2/c1-2-10-18-16-9-8-14(11-15(16)17)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2
InChIKeyRSEZOQPQDFLBPC-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
CID 50888745
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
CID 91251080
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
2,4-bis(phenylmethoxy)-1-prop-1-en-2-ylbenzene
CID 24773359
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene?
The IUPAC name of 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene (CID 50888850) is 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene.
What is the SMILES notation for 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene?
The canonical SMILES for 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene is C=CCOc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene?
The InChIKey is RSEZOQPQDFLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-10-18-16-9-8-14(11-15(16)17)19-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2.
What are the key properties of 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene?
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene has a molecular weight of 274.75 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene is sourced from PubChem (CID 50888850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).