2-(cyclopropylmethoxy)-6-phenylbenzoic acid

C17H16O3 — CID 66629657

IUPAC2-(cyclopropylmethoxy)-6-phenylbenzoic acid
SMILESO=C(O)c1c(OCC2CC2)cccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(19)16-14(13-5-2-1-3-6-13)7-4-8-15(16)20-11-12-9-10-12/h1-8,12H,9-11H2,(H,18,19)
InChIKeyWCHAWQGZKWUHDB-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.84
Rot. Bonds5

About 2-(cyclopropylmethoxy)-6-phenylbenzoic acid

2-(cyclopropylmethoxy)-6-phenylbenzoic acid (PubChem CID 66629657) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-phenylbenzoic acid
PubChem CID66629657
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(cyclopropylmethoxy)-6-phenylbenzoic acid
SMILESO=C(O)c1c(OCC2CC2)cccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(19)16-14(13-5-2-1-3-6-13)7-4-8-15(16)20-11-12-9-10-12/h1-8,12H,9-11H2,(H,18,19)
InChIKeyWCHAWQGZKWUHDB-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
2-bromo-1-[2-(cyclopropylmethoxy)phenyl]ethanone
CID 95927871
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
CID 103586472
2-phenyl-6-propoxybenzamide
CID 57275841
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-phenylphthalic acid;dihydrobromide
CID 67683459
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-phenylbenzoic acid?
The IUPAC name of 2-(cyclopropylmethoxy)-6-phenylbenzoic acid (CID 66629657) is 2-(cyclopropylmethoxy)-6-phenylbenzoic acid.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-phenylbenzoic acid?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-phenylbenzoic acid is O=C(O)c1c(OCC2CC2)cccc1-c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-phenylbenzoic acid?
The InChIKey is WCHAWQGZKWUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)16-14(13-5-2-1-3-6-13)7-4-8-15(16)20-11-12-9-10-12/h1-8,12H,9-11H2,(H,18,19).
What are the key properties of 2-(cyclopropylmethoxy)-6-phenylbenzoic acid?
2-(cyclopropylmethoxy)-6-phenylbenzoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-phenylbenzoic acid is sourced from PubChem (CID 66629657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).