4-(1-phenylcyclopropyl)benzoic acid

C16H14O2 — CID 19600113

IUPAC4-(1-phenylcyclopropyl)benzoic acid
SMILESO=C(O)c1ccc(C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H14O2/c17-15(18)12-6-8-14(9-7-12)16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyYCCVADQUXDXABD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.46
Rot. Bonds3

About 4-(1-phenylcyclopropyl)benzoic acid

4-(1-phenylcyclopropyl)benzoic acid (PubChem CID 19600113) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1-phenylcyclopropyl)benzoic acid.

Molecular Properties

Compound Name4-(1-phenylcyclopropyl)benzoic acid
PubChem CID19600113
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-(1-phenylcyclopropyl)benzoic acid
SMILESO=C(O)c1ccc(C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H14O2/c17-15(18)12-6-8-14(9-7-12)16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKeyYCCVADQUXDXABD-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylcyclopropyl)benzoic acid?
The IUPAC name of 4-(1-phenylcyclopropyl)benzoic acid (CID 19600113) is 4-(1-phenylcyclopropyl)benzoic acid.
What is the SMILES notation for 4-(1-phenylcyclopropyl)benzoic acid?
The canonical SMILES for 4-(1-phenylcyclopropyl)benzoic acid is O=C(O)c1ccc(C2(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(1-phenylcyclopropyl)benzoic acid?
The InChIKey is YCCVADQUXDXABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-15(18)12-6-8-14(9-7-12)16(10-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of 4-(1-phenylcyclopropyl)benzoic acid?
4-(1-phenylcyclopropyl)benzoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylcyclopropyl)benzoic acid is sourced from PubChem (CID 19600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).