2-(2-benzyl-4-hydroxyphenyl)acetic acid

C15H14O3 — CID 21339488

IUPAC2-(2-benzyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)cc1Cc1ccccc1
InChIInChI=1S/C15H14O3/c16-14-7-6-12(10-15(17)18)13(9-14)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeySYSSEELXNKGLMA-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-benzyl-4-hydroxyphenyl)acetic acid

2-(2-benzyl-4-hydroxyphenyl)acetic acid (PubChem CID 21339488) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2-benzyl-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-benzyl-4-hydroxyphenyl)acetic acid
PubChem CID21339488
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-(2-benzyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)cc1Cc1ccccc1
InChIInChI=1S/C15H14O3/c16-14-7-6-12(10-15(17)18)13(9-14)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2,(H,17,18)
InChIKeySYSSEELXNKGLMA-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-benzyl-4-hydroxyphenyl)acetic acid (CID 21339488) is 2-(2-benzyl-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-benzyl-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-benzyl-4-hydroxyphenyl)acetic acid is O=C(O)Cc1ccc(O)cc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-4-hydroxyphenyl)acetic acid?
The InChIKey is SYSSEELXNKGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-14-7-6-12(10-15(17)18)13(9-14)8-11-4-2-1-3-5-11/h1-7,9,16H,8,10H2,(H,17,18).
What are the key properties of 2-(2-benzyl-4-hydroxyphenyl)acetic acid?
2-(2-benzyl-4-hydroxyphenyl)acetic acid has a molecular weight of 242.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 21339488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).