(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one

C12H15NO2 — CID 98338444

IUPAC(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(O)c(C(=O)/C=C\N(C)C)c1
InChIInChI=1S/C12H15NO2/c1-9-4-5-11(14)10(8-9)12(15)6-7-13(2)3/h4-8,14H,1-3H3/b7-6-
InChIKeyMKKLIEIMAOOPBV-SREVYHEPSA-N
MW205.26 g/mol
LogP1.96
Rot. Bonds3

About (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one

(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one (PubChem CID 98338444) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
PubChem CID98338444
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(O)c(C(=O)/C=C\N(C)C)c1
InChIInChI=1S/C12H15NO2/c1-9-4-5-11(14)10(8-9)12(15)6-7-13(2)3/h4-8,14H,1-3H3/b7-6-
InChIKeyMKKLIEIMAOOPBV-SREVYHEPSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091
(E)-3-(dimethylamino)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 12535994
(E)-4-(2-hydroxy-5-methylphenyl)-4-oxobut-2-enenitrile
CID 155671839
methyl (E)-4-(2-hydroxy-5-methylphenyl)-4-oxobut-2-enoate
CID 82550154
(E)-1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 171617110
(E)-1-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 13145088
(E)-1-(2-hydroxy-5-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 10733419
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
1-(4-chloro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 72789848
1-(2,5-dihydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 71334768
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
CID 2780965

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one (CID 98338444) is (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is Cc1ccc(O)c(C(=O)/C=C\N(C)C)c1.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
The InChIKey is MKKLIEIMAOOPBV-SREVYHEPSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-5-11(14)10(8-9)12(15)6-7-13(2)3/h4-8,14H,1-3H3/b7-6-.
What are the key properties of (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 98338444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).