1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene

C17H17ClO2 — CID 103065932

IUPAC1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene
SMILESC=C(CCl)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17ClO2/c1-14(11-18)12-19-16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,1,11-13H2
InChIKeyNBQOCDILEYBPBF-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.44
Rot. Bonds7

About 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene

1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene (PubChem CID 103065932) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene
PubChem CID103065932
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene
SMILESC=C(CCl)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17ClO2/c1-14(11-18)12-19-16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,1,11-13H2
InChIKeyNBQOCDILEYBPBF-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-phenylmethoxyaniline
CID 159966727
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
4-phenylmethoxybenzoic acid
CID 68896574
phenoxymethylbenzene;sulfuric acid
CID 68982967
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene (CID 103065932) is 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene is C=C(CCl)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene?
The InChIKey is NBQOCDILEYBPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-14(11-18)12-19-16-7-9-17(10-8-16)20-13-15-5-3-2-4-6-15/h2-10H,1,11-13H2.
What are the key properties of 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene?
1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene has a molecular weight of 288.77 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene is sourced from PubChem (CID 103065932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).