4-cyclopropyl-2-phenylmethoxybenzoic acid

C17H16O3 — CID 162369981

IUPAC4-cyclopropyl-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-6-7-13)10-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,18,19)
InChIKeyKEECAPGBONDBBT-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.84
Rot. Bonds5

About 4-cyclopropyl-2-phenylmethoxybenzoic acid

4-cyclopropyl-2-phenylmethoxybenzoic acid (PubChem CID 162369981) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-phenylmethoxybenzoic acid
PubChem CID162369981
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-cyclopropyl-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(C2CC2)cc1OCc1ccccc1
InChIInChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-6-7-13)10-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,18,19)
InChIKeyKEECAPGBONDBBT-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-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086
2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
CID 18991194
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-[(5-cyclohexyl-2-pyridinyl)methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylmethoxybenzoic acid
CID 135241643
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
4-(1-aminopropyl)-2-phenylmethoxybenzoic acid
CID 123417616
2-bromo-4-methyl-3-[(2-phenylmethoxy-5-piperidin-4-ylbenzoyl)amino]benzoic acid
CID 150388354
ethane;4-phenylmethoxyphthalic acid
CID 90802135

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenylmethoxybenzoic acid?
The IUPAC name of 4-cyclopropyl-2-phenylmethoxybenzoic acid (CID 162369981) is 4-cyclopropyl-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-cyclopropyl-2-phenylmethoxybenzoic acid?
The canonical SMILES for 4-cyclopropyl-2-phenylmethoxybenzoic acid is O=C(O)c1ccc(C2CC2)cc1OCc1ccccc1.
What is the InChIKey of 4-cyclopropyl-2-phenylmethoxybenzoic acid?
The InChIKey is KEECAPGBONDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)15-9-8-14(13-6-7-13)10-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,18,19).
What are the key properties of 4-cyclopropyl-2-phenylmethoxybenzoic acid?
4-cyclopropyl-2-phenylmethoxybenzoic 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 4-cyclopropyl-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 162369981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).