propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate

C24H24O4 — CID 67659567

IUPACpropyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate
SMILESCCCOC(=O)c1cccc(-c2cc(CO)ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H24O4/c1-2-13-27-24(26)21-10-6-9-20(15-21)22-14-19(16-25)11-12-23(22)28-17-18-7-4-3-5-8-18/h3-12,14-15,25H,2,13,16-17H2,1H3
InChIKeyMCDTVVMQBMIFAF-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.99
Rot. Bonds8

About propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate

propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate (PubChem CID 67659567) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate.

Molecular Properties

Compound Namepropyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate
PubChem CID67659567
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namepropyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate
SMILESCCCOC(=O)c1cccc(-c2cc(CO)ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H24O4/c1-2-13-27-24(26)21-10-6-9-20(15-21)22-14-19(16-25)11-12-23(22)28-17-18-7-4-3-5-8-18/h3-12,14-15,25H,2,13,16-17H2,1H3
InChIKeyMCDTVVMQBMIFAF-UHFFFAOYSA-N
XLogP4.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159
propyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 50923904
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
5-(3-propoxycarbonylphenyl)furan-2-carboxylic acid
CID 17274125
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
propyl 3-(methoxymethyl)benzoate
CID 78846700
propyl 3-[1-methyl-4-oxo-5-(3-phenylpropyl)-3-pyridinyl]benzoate
CID 23328603
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
CID 67455707

Frequently Asked Questions

What is the IUPAC name of propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate?
The IUPAC name of propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate (CID 67659567) is propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate.
What is the SMILES notation for propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate?
The canonical SMILES for propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate is CCCOC(=O)c1cccc(-c2cc(CO)ccc2OCc2ccccc2)c1.
What is the InChIKey of propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate?
The InChIKey is MCDTVVMQBMIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-2-13-27-24(26)21-10-6-9-20(15-21)22-14-19(16-25)11-12-23(22)28-17-18-7-4-3-5-8-18/h3-12,14-15,25H,2,13,16-17H2,1H3.
What are the key properties of propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate?
propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate has a molecular weight of 376.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate is sourced from PubChem (CID 67659567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).