1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene

C13H15ClO2 — CID 145351618

IUPAC1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene
SMILESC=C(C)O/C(=C\C)c1cc(OC)ccc1Cl
InChIInChI=1S/C13H15ClO2/c1-5-13(16-9(2)3)11-8-10(15-4)6-7-12(11)14/h5-8H,2H2,1,3-4H3/b13-5-
InChIKeyBWIJQTCAEWSSFU-ACAGNQJTSA-N
MW238.71 g/mol
LogP4.26
Rot. Bonds4

About 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene

1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene (PubChem CID 145351618) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene
PubChem CID145351618
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene
SMILESC=C(C)O/C(=C\C)c1cc(OC)ccc1Cl
InChIInChI=1S/C13H15ClO2/c1-5-13(16-9(2)3)11-8-10(15-4)6-7-12(11)14/h5-8H,2H2,1,3-4H3/b13-5-
InChIKeyBWIJQTCAEWSSFU-ACAGNQJTSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole
CID 66771193
O-[(1E)-1-(5-methoxy-2-methylphenyl)-3-methylbuta-1,3-dienyl]hydroxylamine
CID 145208168
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
(2-chloro-5-methoxyphenyl)-trifluoroboranuide
CID 63675456

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene (CID 145351618) is 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene is C=C(C)O/C(=C\C)c1cc(OC)ccc1Cl.
What is the InChIKey of 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene?
The InChIKey is BWIJQTCAEWSSFU-ACAGNQJTSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-5-13(16-9(2)3)11-8-10(15-4)6-7-12(11)14/h5-8H,2H2,1,3-4H3/b13-5-.
What are the key properties of 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene?
1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene has a molecular weight of 238.71 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene is sourced from PubChem (CID 145351618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).