5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene

C16H23ClO — CID 83938771

IUPAC5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
SMILESC/C=C\C(C)Cc1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C16H23ClO/c1-6-7-12(4)8-13-9-14(17)10-15(11(2)3)16(13)18-5/h6-7,9-12H,8H2,1-5H3/b7-6-
InChIKeyLJXIHOHZMRLKFE-SREVYHEPSA-N
MW266.81 g/mol
LogP5.23
Rot. Bonds5

About 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene

5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene (PubChem CID 83938771) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
PubChem CID83938771
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
SMILESC/C=C\C(C)Cc1cc(Cl)cc(C(C)C)c1OC
InChIInChI=1S/C16H23ClO/c1-6-7-12(4)8-13-9-14(17)10-15(11(2)3)16(13)18-5/h6-7,9-12H,8H2,1-5H3/b7-6-
InChIKeyLJXIHOHZMRLKFE-SREVYHEPSA-N
XLogP5.23
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 ≤ 55.23
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

1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl thiocyanate
CID 112719246
1-chloro-2,4-diethoxy-5-[(Z)-2-methylpent-3-enyl]benzene
CID 83943473
1,5-dichloro-2-ethoxy-3-(2-methylbut-3-enyl)benzene
CID 83941256
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
CID 83939747
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
CID 83938850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene?
The IUPAC name of 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene (CID 83938771) is 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene?
The canonical SMILES for 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene is C/C=C\C(C)Cc1cc(Cl)cc(C(C)C)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene?
The InChIKey is LJXIHOHZMRLKFE-SREVYHEPSA-N. The full InChI is InChI=1S/C16H23ClO/c1-6-7-12(4)8-13-9-14(17)10-15(11(2)3)16(13)18-5/h6-7,9-12H,8H2,1-5H3/b7-6-.
What are the key properties of 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene?
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene has a molecular weight of 266.81 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 83938771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).