4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid

C18H20O4 — CID 90075851

IUPAC4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
SMILESCCC(C)c1ccc(COc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H20O4/c1-3-12(2)14-6-4-13(5-7-14)11-22-15-8-9-16(18(20)21)17(19)10-15/h4-10,12,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHZZCJEQWEPBFAU-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.18
Rot. Bonds6

About 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid

4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid (PubChem CID 90075851) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
PubChem CID90075851
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
SMILESCCC(C)c1ccc(COc2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C18H20O4/c1-3-12(2)14-6-4-13(5-7-14)11-22-15-8-9-16(18(20)21)17(19)10-15/h4-10,12,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyHZZCJEQWEPBFAU-UHFFFAOYSA-N
XLogP4.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
4-butan-2-yl-2-hydroxybenzoic acid
CID 54169876
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
CID 10449655
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid
CID 19106206
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid (CID 90075851) is 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid is CCC(C)c1ccc(COc2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid?
The InChIKey is HZZCJEQWEPBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-12(2)14-6-4-13(5-7-14)11-22-15-8-9-16(18(20)21)17(19)10-15/h4-10,12,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid?
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid has a molecular weight of 300.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid is sourced from PubChem (CID 90075851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).