1-chloro-4-[(E)-2-phenylethenoxy]benzene

C14H11ClO — CID 101411490

IUPAC1-chloro-4-[(E)-2-phenylethenoxy]benzene
SMILESClc1ccc(O/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11ClO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeySJJTWEYLFFWMDC-ZHACJKMWSA-N
MW230.69 g/mol
LogP4.39
Rot. Bonds3

About 1-chloro-4-[(E)-2-phenylethenoxy]benzene

1-chloro-4-[(E)-2-phenylethenoxy]benzene (PubChem CID 101411490) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-phenylethenoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-phenylethenoxy]benzene
PubChem CID101411490
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name1-chloro-4-[(E)-2-phenylethenoxy]benzene
SMILESClc1ccc(O/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11ClO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+
InChIKeySJJTWEYLFFWMDC-ZHACJKMWSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(Z)-2-phenoxyethenyl]benzene
CID 135080417
2-phenoxyethenylbenzene;1,2-xylene
CID 174396691
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
CID 13355038
1,3-dimethyl-5-(2-phenylethenoxy)benzene
CID 71429052
2-phenylethenyl hypochlorite
CID 174846966
2-(chloromethoxy)ethenylbenzene
CID 54484183
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
CID 158705865
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diphenylaniline
CID 20650306
2-(2-chloroethoxy)ethenylbenzene
CID 54340888

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-2-phenylethenoxy]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-phenylethenoxy]benzene (CID 101411490) is 1-chloro-4-[(E)-2-phenylethenoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-phenylethenoxy]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-phenylethenoxy]benzene is Clc1ccc(O/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-[(E)-2-phenylethenoxy]benzene?
The InChIKey is SJJTWEYLFFWMDC-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11ClO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-11H/b11-10+.
What are the key properties of 1-chloro-4-[(E)-2-phenylethenoxy]benzene?
1-chloro-4-[(E)-2-phenylethenoxy]benzene has a molecular weight of 230.69 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-phenylethenoxy]benzene is sourced from PubChem (CID 101411490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).