2-(2-naphthalen-2-ylphenoxy)acetic acid

C18H14O3 — CID 139923485

IUPAC2-(2-naphthalen-2-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H14O3/c19-18(20)12-21-17-8-4-3-7-16(17)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,19,20)
InChIKeyBZYHBPODMAOMHS-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-naphthalen-2-ylphenoxy)acetic acid

2-(2-naphthalen-2-ylphenoxy)acetic acid (PubChem CID 139923485) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylphenoxy)acetic acid
PubChem CID139923485
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-(2-naphthalen-2-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccccc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H14O3/c19-18(20)12-21-17-8-4-3-7-16(17)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,19,20)
InChIKeyBZYHBPODMAOMHS-UHFFFAOYSA-N
XLogP3.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenoxy]acetic acid
CID 167810610
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
CID 66629221
2-[1-[2-(carboxymethoxy)-3-(2-naphthalen-1-ylphenyl)naphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyacetic acid
CID 142535552
2-[2-[3-(3-tritylphenyl)phenyl]phenoxy]acetic acid
CID 70229281
naphthalene;2-phenoxyacetic acid
CID 175275275
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
(2-naphthalen-2-ylphenoxy)boronic acid
CID 150538164
2-[3-[2-(carboxymethoxy)phenanthren-3-yl]phenanthren-2-yl]oxyacetic acid
CID 176819800
2-(2-naphthalen-2-yl-6-phenylphenyl)acetic acid
CID 69422922
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylphenoxy)acetic acid?
The IUPAC name of 2-(2-naphthalen-2-ylphenoxy)acetic acid (CID 139923485) is 2-(2-naphthalen-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-naphthalen-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-(2-naphthalen-2-ylphenoxy)acetic acid is O=C(O)COc1ccccc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylphenoxy)acetic acid?
The InChIKey is BZYHBPODMAOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-18(20)12-21-17-8-4-3-7-16(17)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,19,20).
What are the key properties of 2-(2-naphthalen-2-ylphenoxy)acetic acid?
2-(2-naphthalen-2-ylphenoxy)acetic acid has a molecular weight of 278.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylphenoxy)acetic acid is sourced from PubChem (CID 139923485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).