5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene

C16H23ClO — CID 83938767

IUPAC5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
SMILESC=CCC(CC)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C16H23ClO/c1-6-8-12(7-2)15-10-13(17)9-14(11(3)4)16(15)18-5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyBJEKKTUZTTUITP-UHFFFAOYSA-N
MW266.81 g/mol
LogP5.54
Rot. Bonds6

About 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene

5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene (PubChem CID 83938767) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene.

Molecular Properties

Compound Name5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
PubChem CID83938767
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
SMILESC=CCC(CC)c1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C16H23ClO/c1-6-8-12(7-2)15-10-13(17)9-14(11(3)4)16(15)18-5/h6,9-12H,1,7-8H2,2-5H3
InChIKeyBJEKKTUZTTUITP-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
CID 124548037
2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane
CID 83938780
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)prop-2-en-1-one
CID 83958793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene?
The IUPAC name of 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene (CID 83938767) is 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene.
What is the SMILES notation for 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene?
The canonical SMILES for 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene is C=CCC(CC)c1cc(Cl)cc(C(C)C)c1OC.
What is the InChIKey of 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene?
The InChIKey is BJEKKTUZTTUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-6-8-12(7-2)15-10-13(17)9-14(11(3)4)16(15)18-5/h6,9-12H,1,7-8H2,2-5H3.
What are the key properties of 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene?
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene has a molecular weight of 266.81 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene is sourced from PubChem (CID 83938767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).