1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene

C18H19ClO — CID 174448229

IUPAC1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene
SMILESC=CCC(CCCl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19ClO/c1-2-6-15(13-14-19)16-9-11-18(12-10-16)20-17-7-4-3-5-8-17/h2-5,7-12,15H,1,6,13-14H2
InChIKeyGZMNJAXOHVWEKO-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.77
Rot. Bonds7

About 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene

1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene (PubChem CID 174448229) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene
PubChem CID174448229
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene
SMILESC=CCC(CCCl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19ClO/c1-2-6-15(13-14-19)16-9-11-18(12-10-16)20-17-7-4-3-5-8-17/h2-5,7-12,15H,1,6,13-14H2
InChIKeyGZMNJAXOHVWEKO-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene?
The IUPAC name of 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene (CID 174448229) is 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene.
What is the SMILES notation for 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene?
The canonical SMILES for 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene is C=CCC(CCCl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene?
The InChIKey is GZMNJAXOHVWEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-2-6-15(13-14-19)16-9-11-18(12-10-16)20-17-7-4-3-5-8-17/h2-5,7-12,15H,1,6,13-14H2.
What are the key properties of 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene?
1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene has a molecular weight of 286.80 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chlorohex-5-en-3-yl)-4-phenoxybenzene is sourced from PubChem (CID 174448229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).