4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene

C16H23ClO — CID 83938156

IUPAC4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
SMILESC/C=C\CC(CC)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C16H23ClO/c1-6-8-9-13(7-2)15-12(4)16(17)11(3)10-14(15)18-5/h6,8,10,13H,7,9H2,1-5H3/b8-6-
InChIKeyLGOFCZZHQNWRIL-VURMDHGXSA-N
MW266.81 g/mol
LogP5.43
Rot. Bonds5

About 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene

4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene (PubChem CID 83938156) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
PubChem CID83938156
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
SMILESC/C=C\CC(CC)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C16H23ClO/c1-6-8-9-13(7-2)15-12(4)16(17)11(3)10-14(15)18-5/h6,8,10,13H,7,9H2,1-5H3/b8-6-
InChIKeyLGOFCZZHQNWRIL-VURMDHGXSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.43
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

2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene
CID 83928669
2-chloro-4-hex-5-yn-3-yl-1,3-dimethyl-5-propoxybenzene
CID 83938031
1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene
CID 83931667
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)pentanoic acid
CID 83958661
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentyl thiocyanate
CID 112719172
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene?
The IUPAC name of 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene (CID 83938156) is 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene?
The canonical SMILES for 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene is C/C=C\CC(CC)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene?
The InChIKey is LGOFCZZHQNWRIL-VURMDHGXSA-N. The full InChI is InChI=1S/C16H23ClO/c1-6-8-9-13(7-2)15-12(4)16(17)11(3)10-14(15)18-5/h6,8,10,13H,7,9H2,1-5H3/b8-6-.
What are the key properties of 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene?
4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene has a molecular weight of 266.81 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 83938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).