(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione

C14H16ClNO2S — CID 3601144

IUPAC(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
SMILESC=CCOc1ccc(C(=S)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-2-7-18-13-4-3-11(10-12(13)15)14(19)16-5-8-17-9-6-16/h2-4,10H,1,5-9H2
InChIKeyBBEIEZFFFNGNTA-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.91
Rot. Bonds4

About (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione

(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione (PubChem CID 3601144) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
PubChem CID3601144
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
SMILESC=CCOc1ccc(C(=S)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H16ClNO2S/c1-2-7-18-13-4-3-11(10-12(13)15)14(19)16-5-8-17-9-6-16/h2-4,10H,1,5-9H2
InChIKeyBBEIEZFFFNGNTA-UHFFFAOYSA-N
XLogP2.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-prop-2-enoxyphenyl)-piperidin-1-ylmethanethione
CID 5001144
(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione
CID 4650978
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
CID 23961778
[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 3909592
(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-piperidin-1-ylmethanethione
CID 3969715
[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 126378097
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
2-[[2,6-dichloro-4-(morpholine-4-carbothioyl)phenoxy]methyl]benzonitrile
CID 3881798
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-1-yl)methanethione
CID 3577905
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione
CID 4640773

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione (CID 3601144) is (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione is C=CCOc1ccc(C(=S)N2CCOCC2)cc1Cl.
What is the InChIKey of (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione?
The InChIKey is BBEIEZFFFNGNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-7-18-13-4-3-11(10-12(13)15)14(19)16-5-8-17-9-6-16/h2-4,10H,1,5-9H2.
What are the key properties of (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione?
(3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione has a molecular weight of 297.81 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-prop-2-enoxyphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 3601144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).