2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

C16H21ClO3 — CID 65498695

IUPAC2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1cc(Cl)c(C(C)C)cc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C16H21ClO3/c1-10(2)12-7-14(11(3)6-13(12)17)20-9-16(4-5-16)8-15(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyWNWDSTWFKUSZLU-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.41
Rot. Bonds6

About 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid

2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 65498695) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID65498695
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1cc(Cl)c(C(C)C)cc1OCC1(CC(=O)O)CC1
InChIInChI=1S/C16H21ClO3/c1-10(2)12-7-14(11(3)6-13(12)17)20-9-16(4-5-16)8-15(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyWNWDSTWFKUSZLU-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495310
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-[1-[(4-bromo-2-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 113303039
4-(bromomethyl)-4-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]oxane
CID 65004732
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397508

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid (CID 65498695) is 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is Cc1cc(Cl)c(C(C)C)cc1OCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is WNWDSTWFKUSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO3/c1-10(2)12-7-14(11(3)6-13(12)17)20-9-16(4-5-16)8-15(18)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 296.79 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).