1-(1-chloroethyl)-4-phenoxybenzene

C14H13ClO — CID 18342950

IUPAC1-(1-chloroethyl)-4-phenoxybenzene
SMILESCC(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13ClO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyJCDHEENRYMLUBK-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.78
Rot. Bonds3

About 1-(1-chloroethyl)-4-phenoxybenzene

1-(1-chloroethyl)-4-phenoxybenzene (PubChem CID 18342950) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(1-chloroethyl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(1-chloroethyl)-4-phenoxybenzene
PubChem CID18342950
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-(1-chloroethyl)-4-phenoxybenzene
SMILESCC(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H13ClO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyJCDHEENRYMLUBK-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-chloroethyl]benzene
CID 642190
1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
CID 151834044
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
2-(4-phenoxyphenyl)propanoic acid
CID 527817
1-chloro-4-[4-(1-chloroethyl)phenoxy]-2-methylbenzene
CID 67952517
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
2-[1-(4-phenoxyphenyl)ethoxy]ethanamine
CID 112512699
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-4-phenoxybenzene?
The IUPAC name of 1-(1-chloroethyl)-4-phenoxybenzene (CID 18342950) is 1-(1-chloroethyl)-4-phenoxybenzene.
What is the SMILES notation for 1-(1-chloroethyl)-4-phenoxybenzene?
The canonical SMILES for 1-(1-chloroethyl)-4-phenoxybenzene is CC(Cl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(1-chloroethyl)-4-phenoxybenzene?
The InChIKey is JCDHEENRYMLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 1-(1-chloroethyl)-4-phenoxybenzene?
1-(1-chloroethyl)-4-phenoxybenzene has a molecular weight of 232.71 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-4-phenoxybenzene is sourced from PubChem (CID 18342950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).