5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid

C17H17ClO4 — CID 141216465

IUPAC5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C17H17ClO4/c1-11(2)22-16-8-7-14(9-15(16)17(19)20)21-10-12-3-5-13(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyHQGUSKKHXGNGER-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.40
Rot. Bonds6

About 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid

5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid (PubChem CID 141216465) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
PubChem CID141216465
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C17H17ClO4/c1-11(2)22-16-8-7-14(9-15(16)17(19)20)21-10-12-3-5-13(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyHQGUSKKHXGNGER-UHFFFAOYSA-N
XLogP4.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
5-[(4-chlorophenyl)methoxy]-2-nitrobenzoic acid
CID 65125040
2-chloro-4-phenylmethoxy-1-propan-2-yloxybenzene
CID 50888763
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid (CID 141216465) is 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1C(=O)O.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
The InChIKey is HQGUSKKHXGNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-11(2)22-16-8-7-14(9-15(16)17(19)20)21-10-12-3-5-13(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid?
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid has a molecular weight of 320.77 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 141216465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).