2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid

C18H16O2 — CID 59227588

IUPAC2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESO=C(O)CC1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C18H16O2/c19-17(20)12-15-11-10-13-6-4-5-9-16(13)18(15)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,20)
InChIKeyAZTLPPZBGGLLSW-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.91
Rot. Bonds3

About 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid

2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid (PubChem CID 59227588) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
PubChem CID59227588
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
SMILESO=C(O)CC1=C(c2ccccc2)c2ccccc2CC1
InChIInChI=1S/C18H16O2/c19-17(20)12-15-11-10-13-6-4-5-9-16(13)18(15)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,20)
InChIKeyAZTLPPZBGGLLSW-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid (CID 59227588) is 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid is O=C(O)CC1=C(c2ccccc2)c2ccccc2CC1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid?
The InChIKey is AZTLPPZBGGLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-17(20)12-15-11-10-13-6-4-5-9-16(13)18(15)14-7-2-1-3-8-14/h1-9H,10-12H2,(H,19,20).
What are the key properties of 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid?
2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 59227588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).