methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate

C11H12O3 — CID 169478717

IUPACmethyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(C)cccc1O
InChIInChI=1S/C11H12O3/c1-8-4-3-5-10(12)9(8)6-7-11(13)14-2/h3-7,12H,1-2H3
InChIKeyIGLCUVFNSOCCQK-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.89
Rot. Bonds2

About methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate

methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate (PubChem CID 169478717) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
PubChem CID169478717
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(C)cccc1O
InChIInChI=1S/C11H12O3/c1-8-4-3-5-10(12)9(8)6-7-11(13)14-2/h3-7,12H,1-2H3
InChIKeyIGLCUVFNSOCCQK-UHFFFAOYSA-N
XLogP1.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.89
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

(E)-4-(2-hydroxy-6-methylphenyl)but-3-en-2-one
CID 131241877
methyl 3-[2-methyl-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 70266243
methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
CID 145265923
methyl 3-(2-acetamido-3-methylphenyl)prop-2-enoate
CID 57041202
methyl (E)-3-(5-hydroxy-1,3-benzodioxol-4-yl)prop-2-enoate
CID 71605511
methyl (E)-3-[2,3-diamino-4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]prop-2-enoate
CID 102374374
methyl (E)-3-(2-chloro-6-methoxyphenyl)prop-2-enoate
CID 13045462
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141
methyl (E)-3-(2-bromo-6-fluorophenyl)prop-2-enoate
CID 131239793
methyl 3-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enoate
CID 169479862
ethyl (E)-3-(2-chloro-6-methylphenyl)prop-2-enoate
CID 91755247
methyl 3-(2-fluoro-6-formylphenyl)prop-2-enoate
CID 169478906

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate (CID 169478717) is methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate is COC(=O)C=Cc1c(C)cccc1O.
What is the InChIKey of methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate?
The InChIKey is IGLCUVFNSOCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-4-3-5-10(12)9(8)6-7-11(13)14-2/h3-7,12H,1-2H3.
What are the key properties of methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate?
methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate is sourced from PubChem (CID 169478717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).