2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid

C14H19ClO4 — CID 82267978

IUPAC2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)c(OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO4/c1-8(2)18-12-7-11(15)13(19-9(3)4)5-10(12)6-14(16)17/h5,7-9H,6H2,1-4H3,(H,16,17)
InChIKeyIHKJIGKZQHIXLW-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid

2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid (PubChem CID 82267978) has the molecular formula C14H19ClO4 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
PubChem CID82267978
Molecular FormulaC14H19ClO4
Molecular Weight286.76 g/mol
Exact Mass286.10
IUPAC Name2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
SMILESCC(C)Oc1cc(CC(=O)O)c(OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO4/c1-8(2)18-12-7-11(15)13(19-9(3)4)5-10(12)6-14(16)17/h5,7-9H,6H2,1-4H3,(H,16,17)
InChIKeyIHKJIGKZQHIXLW-UHFFFAOYSA-N
XLogP3.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
(2R)-2-[(2,5-dichloro-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 167816568
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
2-[3-chloro-4-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid;cyclohexanamine
CID 45052899

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid (CID 82267978) is 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid is CC(C)Oc1cc(CC(=O)O)c(OC(C)C)cc1Cl.
What is the InChIKey of 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid?
The InChIKey is IHKJIGKZQHIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4/c1-8(2)18-12-7-11(15)13(19-9(3)4)5-10(12)6-14(16)17/h5,7-9H,6H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid?
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid has a molecular weight of 286.76 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 82267978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).