1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene

C17H25ClO — CID 83940649

IUPAC1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1c(C)c(Cl)cc(C)c1OCC
InChIInChI=1S/C17H25ClO/c1-6-8-9-12(3)10-15-14(5)16(18)11-13(4)17(15)19-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-
InChIKeyUWEHJVNWWQSRCM-HJWRWDBZSA-N
MW280.84 g/mol
LogP5.50
Rot. Bonds6

About 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene

1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene (PubChem CID 83940649) has the molecular formula C17H25ClO and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
PubChem CID83940649
Molecular FormulaC17H25ClO
Molecular Weight280.84 g/mol
Exact Mass280.16
IUPAC Name1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1c(C)c(Cl)cc(C)c1OCC
InChIInChI=1S/C17H25ClO/c1-6-8-9-12(3)10-15-14(5)16(18)11-13(4)17(15)19-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-
InChIKeyUWEHJVNWWQSRCM-HJWRWDBZSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.50
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-[1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)propan-2-yl]-3-methyloxirane
CID 83940660
1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
CID 83928267
1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
CID 83943475
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-oct-5-en-3-yl]benzene
CID 83940652
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-methylbutanethioamide
CID 83940733
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
CID 83940767

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene?
The IUPAC name of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene (CID 83940649) is 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene.
What is the SMILES notation for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene?
The canonical SMILES for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene is CC/C=C\C(C)Cc1c(C)c(Cl)cc(C)c1OCC.
What is the InChIKey of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene?
The InChIKey is UWEHJVNWWQSRCM-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H25ClO/c1-6-8-9-12(3)10-15-14(5)16(18)11-13(4)17(15)19-7-2/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-.
What are the key properties of 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene?
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene has a molecular weight of 280.84 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene is sourced from PubChem (CID 83940649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).