3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid

C13H15ClO3 — CID 117389863

IUPAC3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C13H15ClO3/c14-11-5-10(3-4-13(15)16)6-12(7-11)17-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyBZRVMKRWNTVZDM-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.15
Rot. Bonds6

About 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid

3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid (PubChem CID 117389863) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
PubChem CID117389863
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
SMILESO=C(O)CCc1cc(Cl)cc(OCC2CC2)c1
InChIInChI=1S/C13H15ClO3/c14-11-5-10(3-4-13(15)16)6-12(7-11)17-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,15,16)
InChIKeyBZRVMKRWNTVZDM-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
CID 143728042
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
(Z)-7-[(1R,2S,3R,5S)-5-chloro-2-[[3-chloro-5-(2-hydroxyethyl)phenoxy]methyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67442311
5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117473772
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid?
The IUPAC name of 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid (CID 117389863) is 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid is O=C(O)CCc1cc(Cl)cc(OCC2CC2)c1.
What is the InChIKey of 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid?
The InChIKey is BZRVMKRWNTVZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-11-5-10(3-4-13(15)16)6-12(7-11)17-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,15,16).
What are the key properties of 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid?
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 117389863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).