methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate

C18H16O4 — CID 142641908

IUPACmethyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
SMILESCC=Cc1cccc(C(=O)c2c(O)cccc2C(=O)OC)c1
InChIInChI=1S/C18H16O4/c1-3-6-12-7-4-8-13(11-12)17(20)16-14(18(21)22-2)9-5-10-15(16)19/h3-11,19H,1-2H3
InChIKeyOXSRWNHSPRGPGR-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.44
Rot. Bonds4

About methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate

methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate (PubChem CID 142641908) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
PubChem CID142641908
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Namemethyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate
SMILESCC=Cc1cccc(C(=O)c2c(O)cccc2C(=O)OC)c1
InChIInChI=1S/C18H16O4/c1-3-6-12-7-4-8-13(11-12)17(20)16-14(18(21)22-2)9-5-10-15(16)19/h3-11,19H,1-2H3
InChIKeyOXSRWNHSPRGPGR-UHFFFAOYSA-N
XLogP3.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-prop-1-enylbenzamide
CID 70146317
methyl 3-[(E)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 166154993
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
[2-(3-prop-1-enylbenzoyl)phenyl] trifluoromethanesulfonate
CID 173212237
2-hydroxy-1-(3-prop-1-enylphenyl)ethanone
CID 70610552
methyl 3-(4-sulfanylbut-1-enyl)benzoate
CID 170478585
methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
CID 154711170
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144
methyl 3-[(E)-5-hydroxy-3-oxopent-1-enyl]benzoate
CID 135203906
2-dimethoxyphosphoryl-1-(3-prop-1-enylphenyl)ethanone
CID 91051166
methyl 2-hydroxy-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455740

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate?
The IUPAC name of methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate (CID 142641908) is methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate?
The canonical SMILES for methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate is CC=Cc1cccc(C(=O)c2c(O)cccc2C(=O)OC)c1.
What is the InChIKey of methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate?
The InChIKey is OXSRWNHSPRGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-3-6-12-7-4-8-13(11-12)17(20)16-14(18(21)22-2)9-5-10-15(16)19/h3-11,19H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate?
methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate has a molecular weight of 296.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(3-prop-1-enylbenzoyl)benzoate is sourced from PubChem (CID 142641908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).