2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid

C18H20O4 — CID 10709345

IUPAC2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
SMILESCC(C)COc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C18H20O4/c1-13(2)11-22-17-10-15(8-9-16(17)18(19)20)21-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyNXJPORBDCXGLKQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.00
Rot. Bonds7

About 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid

2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid (PubChem CID 10709345) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
PubChem CID10709345
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
SMILESCC(C)COc1cc(OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C18H20O4/c1-13(2)11-22-17-10-15(8-9-16(17)18(19)20)21-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyNXJPORBDCXGLKQ-UHFFFAOYSA-N
XLogP4.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-phenylmethoxyphthalic acid
CID 90802135
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
2-chloro-1-(2-methylpropoxy)-4-phenylmethoxybenzene
CID 50888745
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid?
The IUPAC name of 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid (CID 10709345) is 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid?
The canonical SMILES for 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid is CC(C)COc1cc(OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid?
The InChIKey is NXJPORBDCXGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-13(2)11-22-17-10-15(8-9-16(17)18(19)20)21-12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid?
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid has a molecular weight of 300.35 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 10709345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).