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

C14H19ClO2 — CID 83943646

IUPAC1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
SMILESC/C=C\CC(C)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-5-6-7-10(2)11-8-13(16-3)14(17-4)9-12(11)15/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeyXMFOZYMWXKSLAC-WAYWQWQTSA-N
MW254.76 g/mol
LogP4.43
Rot. Bonds5

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

1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene (PubChem CID 83943646) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
PubChem CID83943646
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
SMILESC/C=C\CC(C)c1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C14H19ClO2/c1-5-6-7-10(2)11-8-13(16-3)14(17-4)9-12(11)15/h5-6,8-10H,7H2,1-4H3/b6-5-
InChIKeyXMFOZYMWXKSLAC-WAYWQWQTSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.43
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

2-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
1-[(Z)-hex-4-en-2-yl]-2,3,4-trimethoxybenzene
CID 83934116
1-chloro-5-[(Z)-hept-4-en-2-yl]-2,4-dimethoxybenzene
CID 83943357
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
1-(2-chloro-4,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43492723
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene?
The IUPAC name of 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene (CID 83943646) is 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene is C/C=C\CC(C)c1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene?
The InChIKey is XMFOZYMWXKSLAC-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-5-6-7-10(2)11-8-13(16-3)14(17-4)9-12(11)15/h5-6,8-10H,7H2,1-4H3/b6-5-.
What are the key properties of 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene?
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene has a molecular weight of 254.76 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene is sourced from PubChem (CID 83943646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).