[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate

C20H24O4 — CID 21474532

IUPAC[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(CO)cc2)cc1C(C)(C)C
InChIInChI=1S/C20H24O4/c1-20(2,3)17-11-16(9-10-18(17)23-4)19(22)24-13-15-7-5-14(12-21)6-8-15/h5-11,21H,12-13H2,1-4H3
InChIKeyOFQISWNKZNUEBO-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.84
Rot. Bonds5

About [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate

[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate (PubChem CID 21474532) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate
PubChem CID21474532
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(CO)cc2)cc1C(C)(C)C
InChIInChI=1S/C20H24O4/c1-20(2,3)17-11-16(9-10-18(17)23-4)19(22)24-13-15-7-5-14(12-21)6-8-15/h5-11,21H,12-13H2,1-4H3
InChIKeyOFQISWNKZNUEBO-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
1-(3-tert-butyl-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 95468528
1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
(4-cyanophenyl)methyl 3-bromo-4-methoxybenzoate
CID 8875657
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2537878
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
methyl 3-tert-butyl-4-hydroperoxybenzoate
CID 143859954
1-(3-tert-butyl-4-methoxyphenyl)-3-methylbutane-1,2-dione
CID 94693468
3-[4-[(E)-2-(3-tert-butyl-4-methoxyphenyl)prop-1-enyl]phenyl]propanoic acid
CID 19429706
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate?
The IUPAC name of [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate (CID 21474532) is [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate?
The canonical SMILES for [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccc(CO)cc2)cc1C(C)(C)C.
What is the InChIKey of [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate?
The InChIKey is OFQISWNKZNUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-20(2,3)17-11-16(9-10-18(17)23-4)19(22)24-13-15-7-5-14(12-21)6-8-15/h5-11,21H,12-13H2,1-4H3.
What are the key properties of [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate?
[4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate has a molecular weight of 328.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]methyl 3-tert-butyl-4-methoxybenzoate is sourced from PubChem (CID 21474532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).