2-[3-(cyclopropylmethoxy)phenyl]acetic acid

C12H14O3 — CID 61398066

IUPAC2-[3-(cyclopropylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC2CC2)c1
InChIInChI=1S/C12H14O3/c13-12(14)7-10-2-1-3-11(6-10)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,13,14)
InChIKeyBHTUBVZDBCKLFO-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.10
Rot. Bonds5

About 2-[3-(cyclopropylmethoxy)phenyl]acetic acid

2-[3-(cyclopropylmethoxy)phenyl]acetic acid (PubChem CID 61398066) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)phenyl]acetic acid
PubChem CID61398066
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[3-(cyclopropylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC2CC2)c1
InChIInChI=1S/C12H14O3/c13-12(14)7-10-2-1-3-11(6-10)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,13,14)
InChIKeyBHTUBVZDBCKLFO-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
2-[3-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]methoxy]phenyl]acetic acid
CID 70337044
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
2-[3-(cyclopropylmethoxy)-5-[3-(4-ethoxyphenyl)phenoxy]phenyl]acetic acid
CID 59820336
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
cyclopropylmethoxybenzene
CID 12712156
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
CID 134226868
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-(3-octoxyphenyl)acetic acid
CID 11975056

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]acetic acid (CID 61398066) is 2-[3-(cyclopropylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)phenyl]acetic acid is O=C(O)Cc1cccc(OCC2CC2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)phenyl]acetic acid?
The InChIKey is BHTUBVZDBCKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)7-10-2-1-3-11(6-10)15-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2,(H,13,14).
What are the key properties of 2-[3-(cyclopropylmethoxy)phenyl]acetic acid?
2-[3-(cyclopropylmethoxy)phenyl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 61398066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).