2-(2-methyl-1-phenylpropoxy)benzoic acid

C17H18O3 — CID 66602603

IUPAC2-(2-methyl-1-phenylpropoxy)benzoic acid
SMILESCC(C)C(Oc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-12(2)16(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17(18)19/h3-12,16H,1-2H3,(H,18,19)
InChIKeyYUBMNVDBPLCHHN-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.16
Rot. Bonds5

About 2-(2-methyl-1-phenylpropoxy)benzoic acid

2-(2-methyl-1-phenylpropoxy)benzoic acid (PubChem CID 66602603) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylpropoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-methyl-1-phenylpropoxy)benzoic acid
PubChem CID66602603
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(2-methyl-1-phenylpropoxy)benzoic acid
SMILESCC(C)C(Oc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C17H18O3/c1-12(2)16(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17(18)19/h3-12,16H,1-2H3,(H,18,19)
InChIKeyYUBMNVDBPLCHHN-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496
2-pent-3-yn-2-yloxybenzoic acid
CID 139639377
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
phenyl hydrogen carbonate;2-propan-2-yloxybenzoic acid
CID 66628962
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-(1-prop-2-enoyloxyethoxy)benzoic acid
CID 18934237
2-hydroxy-2-phenyl-1-[2-(1-phenylethoxy)phenyl]ethanone
CID 175347432
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylpropoxy)benzoic acid?
The IUPAC name of 2-(2-methyl-1-phenylpropoxy)benzoic acid (CID 66602603) is 2-(2-methyl-1-phenylpropoxy)benzoic acid.
What is the SMILES notation for 2-(2-methyl-1-phenylpropoxy)benzoic acid?
The canonical SMILES for 2-(2-methyl-1-phenylpropoxy)benzoic acid is CC(C)C(Oc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-methyl-1-phenylpropoxy)benzoic acid?
The InChIKey is YUBMNVDBPLCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)16(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)17(18)19/h3-12,16H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-1-phenylpropoxy)benzoic acid?
2-(2-methyl-1-phenylpropoxy)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylpropoxy)benzoic acid is sourced from PubChem (CID 66602603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).