2-(5-propan-2-yl-2-propoxyphenyl)acetic acid

C14H20O3 — CID 82054018

IUPAC2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(C(C)C)cc1CC(=O)O
InChIInChI=1S/C14H20O3/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)9-14(15)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyXSCXPKDYWSFHAE-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.23
Rot. Bonds6

About 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid

2-(5-propan-2-yl-2-propoxyphenyl)acetic acid (PubChem CID 82054018) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
PubChem CID82054018
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
SMILESCCCOc1ccc(C(C)C)cc1CC(=O)O
InChIInChI=1S/C14H20O3/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)9-14(15)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyXSCXPKDYWSFHAE-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67978486
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
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1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-butoxy-5-methylphenyl)acetic acid
CID 82051975
3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
5-(3-propan-2-ylphenyl)-2-propoxybenzoic acid
CID 69114760
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
(2-ethyl-4-propan-2-ylphenyl) ethaneperoxoate
CID 91196690
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
CID 59134643
2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid?
The IUPAC name of 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid (CID 82054018) is 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid?
The canonical SMILES for 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid is CCCOc1ccc(C(C)C)cc1CC(=O)O.
What is the InChIKey of 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid?
The InChIKey is XSCXPKDYWSFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-17-13-6-5-11(10(2)3)8-12(13)9-14(15)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid?
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid has a molecular weight of 236.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-2-propoxyphenyl)acetic acid is sourced from PubChem (CID 82054018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).