2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C18H18O2 — CID 82543452

IUPAC2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H18O2/c19-18(20)12-16-8-4-7-14-9-10-15(11-17(14)16)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,19,20)
InChIKeyODTMDZRYBQXYER-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.25
Rot. Bonds3

About 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 82543452) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID82543452
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C18H18O2/c19-18(20)12-16-8-4-7-14-9-10-15(11-17(14)16)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,19,20)
InChIKeyODTMDZRYBQXYER-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Naphthaleneacetic Acid
CID 6862
Dehydroabietic Acid
CID 94391
Vedaprofen
CID 72158
2-Naphthaleneacetic acid
CID 11393
Diphenylpropionic acid
CID 64798
Methyl Dehydroabietate
CID 14697
15-Hydroxydehydroabietic Acid
CID 14487943
1-Pyrenebutanoic acid
CID 76977
3-Biphenylylacetic acid
CID 32153
Benzenepropanoic acid, alpha-(phenylmethyl)-
CID 64800
Jnj-40418677
CID 52939724
Tug-424
CID 25150014

Frequently Asked Questions

What is the IUPAC name of 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 82543452) is 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)CC1CCCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is ODTMDZRYBQXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-18(20)12-16-8-4-7-14-9-10-15(11-17(14)16)13-5-2-1-3-6-13/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,19,20).
What are the key properties of 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 266.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 82543452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).