[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate

C14H17ClO3 — CID 138974364

IUPAC[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate
SMILESCOc1ccc(/C=C(\Cl)CCCOC(C)=O)cc1
InChIInChI=1S/C14H17ClO3/c1-11(16)18-9-3-4-13(15)10-12-5-7-14(17-2)8-6-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-
InChIKeyULSQVUWIBGSSJI-RAXLEYEMSA-N
MW268.74 g/mol
LogP3.62
Rot. Bonds6

About [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate

[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate (PubChem CID 138974364) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate
PubChem CID138974364
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate
SMILESCOc1ccc(/C=C(\Cl)CCCOC(C)=O)cc1
InChIInChI=1S/C14H17ClO3/c1-11(16)18-9-3-4-13(15)10-12-5-7-14(17-2)8-6-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-
InChIKeyULSQVUWIBGSSJI-RAXLEYEMSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-prop-1-enyl]benzene;pentyl acetate
CID 67944883
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
(Z)-2-chloro-N,N-diethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 24805939
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
6-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
CID 59061609
6-[4-[(Z)-1-[4-[(Z)-1-(4-methoxyphenyl)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenoxy]carbonyloxyhexyl acetate
CID 59061614
[(E)-4-(2,4-dichlorophenyl)-3-(4-methoxybenzoyl)but-3-enyl] acetate
CID 118736219

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate?
The IUPAC name of [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate (CID 138974364) is [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate.
What is the SMILES notation for [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate?
The canonical SMILES for [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate is COc1ccc(/C=C(\Cl)CCCOC(C)=O)cc1.
What is the InChIKey of [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate?
The InChIKey is ULSQVUWIBGSSJI-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-11(16)18-9-3-4-13(15)10-12-5-7-14(17-2)8-6-12/h5-8,10H,3-4,9H2,1-2H3/b13-10-.
What are the key properties of [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate?
[(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate has a molecular weight of 268.74 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-chloro-5-(4-methoxyphenyl)pent-4-enyl] acetate is sourced from PubChem (CID 138974364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).