2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H17ClO2 — CID 54594349

IUPAC2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CC2CCC1C2
InChIInChI=1S/C15H17ClO2/c16-13-5-2-10(3-6-13)8-15(14(17)18)9-11-1-4-12(15)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,18)
InChIKeyYQJWERNTXSCVRQ-UHFFFAOYSA-N
MW264.75 g/mol
LogP3.77
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid

2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 54594349) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID54594349
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CC2CCC1C2
InChIInChI=1S/C15H17ClO2/c16-13-5-2-10(3-6-13)8-15(14(17)18)9-11-1-4-12(15)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,18)
InChIKeyYQJWERNTXSCVRQ-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 54594349) is 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(Cc2ccc(Cl)cc2)CC2CCC1C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YQJWERNTXSCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO2/c16-13-5-2-10(3-6-13)8-15(14(17)18)9-11-1-4-12(15)7-11/h2-3,5-6,11-12H,1,4,7-9H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 264.75 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 54594349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).