propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate

C18H18O5 — CID 141181595

IUPACpropyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
SMILESCCCOC(=O)c1ccc(O)cc1-c1ccccc1C(=O)OC
InChIInChI=1S/C18H18O5/c1-3-10-23-18(21)15-9-8-12(19)11-16(15)13-6-4-5-7-14(13)17(20)22-2/h4-9,11,19H,3,10H2,1-2H3
InChIKeyGKVDDPBMVMMEKV-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.41
Rot. Bonds5

About propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate

propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate (PubChem CID 141181595) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Namepropyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
PubChem CID141181595
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Namepropyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
SMILESCCCOC(=O)c1ccc(O)cc1-c1ccccc1C(=O)OC
InChIInChI=1S/C18H18O5/c1-3-10-23-18(21)15-9-8-12(19)11-16(15)13-6-4-5-7-14(13)17(20)22-2/h4-9,11,19H,3,10H2,1-2H3
InChIKeyGKVDDPBMVMMEKV-UHFFFAOYSA-N
XLogP3.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-[2-(methoxymethoxycarbonyl)phenyl]benzoic acid
CID 22626369
propyl 2-(methoxymethyl)benzoate
CID 78862382
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
1-O-methyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6424480
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
propyl 2-methylbenzoate
CID 23432654
propyl 4-hydroxy-2-nitrobenzoate
CID 154256873
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
methyl 2-(2-acetylphenyl)-4-methylbenzoate
CID 143835405
4-(2-ethoxycarbonylphenoxy)carbonyl-2-(2-methoxycarbonylphenyl)benzoic acid
CID 154182109

Frequently Asked Questions

What is the IUPAC name of propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate?
The IUPAC name of propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate (CID 141181595) is propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate?
The canonical SMILES for propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate is CCCOC(=O)c1ccc(O)cc1-c1ccccc1C(=O)OC.
What is the InChIKey of propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate?
The InChIKey is GKVDDPBMVMMEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-10-23-18(21)15-9-8-12(19)11-16(15)13-6-4-5-7-14(13)17(20)22-2/h4-9,11,19H,3,10H2,1-2H3.
What are the key properties of propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate?
propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate has a molecular weight of 314.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 141181595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).