1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene

C15H21ClO2 — CID 83943357

IUPAC1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
SMILESCC/C=C\CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H21ClO2/c1-5-6-7-8-11(2)12-9-13(16)15(18-4)10-14(12)17-3/h6-7,9-11H,5,8H2,1-4H3/b7-6-
InChIKeyUFJCXWLJKLCJNV-SREVYHEPSA-N
MW268.78 g/mol
LogP4.82
Rot. Bonds6

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

1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene (PubChem CID 83943357) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
PubChem CID83943357
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
SMILESCC/C=C\CC(C)c1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H21ClO2/c1-5-6-7-8-11(2)12-9-13(16)15(18-4)10-14(12)17-3/h6-7,9-11H,5,8H2,1-4H3/b7-6-
InChIKeyUFJCXWLJKLCJNV-SREVYHEPSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
CID 83933310
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
CID 83943646
4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)octan-4-ol
CID 83943374
2-[2-(5-chloro-2,4-dimethoxyphenyl)butyl]-3-ethyloxirane
CID 83943363
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
CID 83936789
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]butanal
CID 117398999
1-chloro-2-ethyl-4-methoxy-5-propan-2-ylbenzene;ethane
CID 145466596

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene?
The IUPAC name of 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene (CID 83943357) is 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene is CC/C=C\CC(C)c1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene?
The InChIKey is UFJCXWLJKLCJNV-SREVYHEPSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-5-6-7-8-11(2)12-9-13(16)15(18-4)10-14(12)17-3/h6-7,9-11H,5,8H2,1-4H3/b7-6-.
What are the key properties of 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene?
1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene has a molecular weight of 268.78 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene is sourced from PubChem (CID 83943357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).