5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid

C16H15ClO3 — CID 63460702

IUPAC5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1ccccc1Oc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H15ClO3/c1-10(2)12-5-3-4-6-14(12)20-15-8-7-11(17)9-13(15)16(18)19/h3-10H,1-2H3,(H,18,19)
InChIKeyNZGHBSWZFQPSNC-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.95
Rot. Bonds4

About 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid

5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid (PubChem CID 63460702) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
PubChem CID63460702
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1ccccc1Oc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C16H15ClO3/c1-10(2)12-5-3-4-6-14(12)20-15-8-7-11(17)9-13(15)16(18)19/h3-10H,1-2H3,(H,18,19)
InChIKeyNZGHBSWZFQPSNC-UHFFFAOYSA-N
XLogP4.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
3-fluoro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 62650459
2-(2-bromo-4-methylphenoxy)-5-chlorobenzoic acid
CID 63461818
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
5-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzoic acid
CID 115402590
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
5-chloro-2-(2,3,5-trimethylphenoxy)benzoic acid
CID 63459993
5-bromo-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 22683649
5-chloro-2-[(6-ethoxy-2-pyridinyl)oxy]benzoic acid
CID 63591158
5-chloro-2-[4-(2-methylpropanoylamino)phenoxy]benzoic acid
CID 20648118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid (CID 63460702) is 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid is CC(C)c1ccccc1Oc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid?
The InChIKey is NZGHBSWZFQPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-10(2)12-5-3-4-6-14(12)20-15-8-7-11(17)9-13(15)16(18)19/h3-10H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid?
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 63460702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).