1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene

C14H18Cl2O — CID 83928669

IUPAC1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene
SMILESC/C=C\CC(CC)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H18Cl2O/c1-4-6-7-10(5-2)11-8-12(15)14(17-3)13(16)9-11/h4,6,8-10H,5,7H2,1-3H3/b6-4-
InChIKeyAPQMHTUCDYVMAS-XQRVVYSFSA-N
MW273.20 g/mol
LogP5.46
Rot. Bonds5

About 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene

1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene (PubChem CID 83928669) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene
PubChem CID83928669
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene
SMILESC/C=C\CC(CC)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H18Cl2O/c1-4-6-7-10(5-2)11-8-12(15)14(17-3)13(16)9-11/h4,6,8-10H,5,7H2,1-3H3/b6-4-
InChIKeyAPQMHTUCDYVMAS-XQRVVYSFSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.20
LogP ≤ 55.46
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-amino-4-(3,5-dichloro-4-methoxyphenyl)hexan-2-ol
CID 83928692
4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
CID 83938156
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
CID 83943646
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
5-(5-chloro-2,3,4-trimethoxyphenyl)heptan-2-one
CID 83925579

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene?
The IUPAC name of 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene (CID 83928669) is 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene.
What is the SMILES notation for 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene?
The canonical SMILES for 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene is C/C=C\CC(CC)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene?
The InChIKey is APQMHTUCDYVMAS-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-4-6-7-10(5-2)11-8-12(15)14(17-3)13(16)9-11/h4,6,8-10H,5,7H2,1-3H3/b6-4-.
What are the key properties of 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene?
1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene has a molecular weight of 273.20 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(Z)-hept-5-en-3-yl]-2-methoxybenzene is sourced from PubChem (CID 83928669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).