2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid

C14H17ClO3 — CID 106930009

IUPAC2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid
SMILESO=C(O)C(COCC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO3/c15-13-5-3-10(4-6-13)7-12(14(16)17)9-18-8-11-1-2-11/h3-6,11-12H,1-2,7-9H2,(H,16,17)
InChIKeyWEZMKBRLSYLGAY-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.01
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid

2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid (PubChem CID 106930009) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid
PubChem CID106930009
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid
SMILESO=C(O)C(COCC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO3/c15-13-5-3-10(4-6-13)7-12(14(16)17)9-18-8-11-1-2-11/h3-6,11-12H,1-2,7-9H2,(H,16,17)
InChIKeyWEZMKBRLSYLGAY-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-ethoxypropanoic acid
CID 103984127
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
2-[(4-chlorophenyl)methyl]-5-ethoxy-4-hydroxypentanoic acid
CID 79418787
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931382
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
2-[(4-chlorophenyl)methyl]-3-(furan-3-yl)propanoic acid
CID 83173129
2-[(4-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propanoic acid
CID 65316701
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
2-[(4-chlorophenyl)methyl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 118142927
2-[(4-chlorophenyl)methyl]tetradecanoic acid
CID 175281665
2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
CID 106931287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid (CID 106930009) is 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid is O=C(O)C(COCC1CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid?
The InChIKey is WEZMKBRLSYLGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-13-5-3-10(4-6-13)7-12(14(16)17)9-18-8-11-1-2-11/h3-6,11-12H,1-2,7-9H2,(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid?
2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid is sourced from PubChem (CID 106930009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).