methyl 4-hydroxy-3-methylbenzoate;propane

C12H18O3 — CID 145380615

IUPACmethyl 4-hydroxy-3-methylbenzoate;propane
SMILESCCC.COC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C9H10O3.C3H8/c1-6-5-7(9(11)12-2)3-4-8(6)10;1-3-2/h3-5,10H,1-2H3;3H2,1-2H3
InChIKeySKLYBSUUUBSBGD-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.90
Rot. Bonds1

About methyl 4-hydroxy-3-methylbenzoate;propane

methyl 4-hydroxy-3-methylbenzoate;propane (PubChem CID 145380615) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is methyl 4-hydroxy-3-methylbenzoate;propane.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-methylbenzoate;propane
PubChem CID145380615
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namemethyl 4-hydroxy-3-methylbenzoate;propane
SMILESCCC.COC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C9H10O3.C3H8/c1-6-5-7(9(11)12-2)3-4-8(6)10;1-3-2/h3-5,10H,1-2H3;3H2,1-2H3
InChIKeySKLYBSUUUBSBGD-UHFFFAOYSA-N
XLogP2.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
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methyl 4-(ethylamino)-3-methylbenzoate
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dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 3-(ethoxycarbonylamino)-4-hydroxybenzoate
CID 139715315
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 4-butan-2-yl-3-methylbenzoate
CID 164538422
methyl 4-(2-ethylbutanoyl)-3-methylbenzoate
CID 146011231
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
1-O-bromo 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 174737774
methyl 4-[(1R)-1-hydroxybutyl]-3-methylbenzoate
CID 129406914

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-methylbenzoate;propane?
The IUPAC name of methyl 4-hydroxy-3-methylbenzoate;propane (CID 145380615) is methyl 4-hydroxy-3-methylbenzoate;propane.
What is the SMILES notation for methyl 4-hydroxy-3-methylbenzoate;propane?
The canonical SMILES for methyl 4-hydroxy-3-methylbenzoate;propane is CCC.COC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of methyl 4-hydroxy-3-methylbenzoate;propane?
The InChIKey is SKLYBSUUUBSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C3H8/c1-6-5-7(9(11)12-2)3-4-8(6)10;1-3-2/h3-5,10H,1-2H3;3H2,1-2H3.
What are the key properties of methyl 4-hydroxy-3-methylbenzoate;propane?
methyl 4-hydroxy-3-methylbenzoate;propane has a molecular weight of 210.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-methylbenzoate;propane is sourced from PubChem (CID 145380615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).