1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene

C16H15ClO — CID 21253623

IUPAC1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene
SMILESC=C(OCc1ccccc1)c1cccc(CCl)c1
InChIInChI=1S/C16H15ClO/c1-13(16-9-5-8-15(10-16)11-17)18-12-14-6-3-2-4-7-14/h2-10H,1,11-12H2
InChIKeyOZPMOUWQGVTVHF-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.61
Rot. Bonds5

About 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene

1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene (PubChem CID 21253623) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene
PubChem CID21253623
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene
SMILESC=C(OCc1ccccc1)c1cccc(CCl)c1
InChIInChI=1S/C16H15ClO/c1-13(16-9-5-8-15(10-16)11-17)18-12-14-6-3-2-4-7-14/h2-10H,1,11-12H2
InChIKeyOZPMOUWQGVTVHF-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
benzyl benzoate
CID 2345
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
benzyl 3-hydroxybenzoate
CID 11736317
chloromethylbenzene;ruthenium
CID 161305198
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
1-phenyl-3-[[3-(1-phenylmethoxyethenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 126663041
(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine
CID 143092593
1-(chloromethyl)-4-(1-phenylethenyl)benzene
CID 68708989
lithium 1-phenylmethoxyethenolate
CID 23696401
argon;(3-chlorophenyl)methyl benzoate
CID 174492322

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene?
The IUPAC name of 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene (CID 21253623) is 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene is C=C(OCc1ccccc1)c1cccc(CCl)c1.
What is the InChIKey of 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene?
The InChIKey is OZPMOUWQGVTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-13(16-9-5-8-15(10-16)11-17)18-12-14-6-3-2-4-7-14/h2-10H,1,11-12H2.
What are the key properties of 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene?
1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene has a molecular weight of 258.75 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene is sourced from PubChem (CID 21253623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).