methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate

C18H20O3 — CID 143170652

IUPACmethyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate
SMILESCCCc1cc(-c2ccc(C)cc2)cc(C(=O)OC)c1O
InChIInChI=1S/C18H20O3/c1-4-5-14-10-15(13-8-6-12(2)7-9-13)11-16(17(14)19)18(20)21-3/h6-11,19H,4-5H2,1-3H3
InChIKeyBYPKDEDURFERKO-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.11
Rot. Bonds4

About methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate

methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate (PubChem CID 143170652) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate
PubChem CID143170652
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate
SMILESCCCc1cc(-c2ccc(C)cc2)cc(C(=O)OC)c1O
InChIInChI=1S/C18H20O3/c1-4-5-14-10-15(13-8-6-12(2)7-9-13)11-16(17(14)19)18(20)21-3/h6-11,19H,4-5H2,1-3H3
InChIKeyBYPKDEDURFERKO-UHFFFAOYSA-N
XLogP4.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[3,5-bis(4-hydroxy-3-methoxycarbonyl-5-propylphenyl)phenyl]-2-hydroxy-3-propylbenzoate
CID 14925170
2-hydroxy-5-(4-methylphenyl)-3-propylbenzoic acid
CID 143170614
methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
4-phenyl-2,6-dipropylphenol
CID 66879307
methane;methyl 2-propylbenzoate
CID 167647144
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol
CID 57154102
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
methyl 5-(4-propylphenyl)-2-(trifluoromethoxy)benzoate
CID 71192054

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate?
The IUPAC name of methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate (CID 143170652) is methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate?
The canonical SMILES for methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate is CCCc1cc(-c2ccc(C)cc2)cc(C(=O)OC)c1O.
What is the InChIKey of methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate?
The InChIKey is BYPKDEDURFERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-5-14-10-15(13-8-6-12(2)7-9-13)11-16(17(14)19)18(20)21-3/h6-11,19H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate?
methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate has a molecular weight of 284.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-(4-methylphenyl)-3-propylbenzoate is sourced from PubChem (CID 143170652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).