2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid

C12H14O3 — CID 117111535

IUPAC2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C12H14O3/c13-11(14)7-9-2-1-3-10(6-9)8-12(15)4-5-12/h1-3,6,15H,4-5,7-8H2,(H,13,14)
InChIKeyBTJMMEUWBPOTOS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.38
Rot. Bonds4

About 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid

2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid (PubChem CID 117111535) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
PubChem CID117111535
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CC2(O)CC2)c1
InChIInChI=1S/C12H14O3/c13-11(14)7-9-2-1-3-10(6-9)8-12(15)4-5-12/h1-3,6,15H,4-5,7-8H2,(H,13,14)
InChIKeyBTJMMEUWBPOTOS-UHFFFAOYSA-N
XLogP1.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013
2-hydroxy-2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid
CID 117108511
2-(3-benzylphenyl)acetic acid
CID 22590987
1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117117472
1-[[3-(2-amino-2-methylpropyl)phenyl]methyl]cyclopropan-1-ol
CID 117111973
2-[3-(2-aminoethyl)phenyl]acetic acid
CID 18403500
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
2-[3-(2-phenylethynyl)phenyl]acetic acid
CID 69085566

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid (CID 117111535) is 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid is O=C(O)Cc1cccc(CC2(O)CC2)c1.
What is the InChIKey of 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
The InChIKey is BTJMMEUWBPOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(14)7-9-2-1-3-10(6-9)8-12(15)4-5-12/h1-3,6,15H,4-5,7-8H2,(H,13,14).
What are the key properties of 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid?
2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-hydroxycyclopropyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 117111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).