2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid

C22H18O3 — CID 175533519

IUPAC2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid
SMILESO=C(O)CC1(c2cccc3ccccc23)c2ccccc2C=CC1O
InChIInChI=1S/C22H18O3/c23-20-13-12-16-7-2-4-10-18(16)22(20,14-21(24)25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,23H,14H2,(H,24,25)
InChIKeyIASZMZHSJOPBMH-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid

2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid (PubChem CID 175533519) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid
PubChem CID175533519
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid
SMILESO=C(O)CC1(c2cccc3ccccc23)c2ccccc2C=CC1O
InChIInChI=1S/C22H18O3/c23-20-13-12-16-7-2-4-10-18(16)22(20,14-21(24)25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,23H,14H2,(H,24,25)
InChIKeyIASZMZHSJOPBMH-UHFFFAOYSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene
CID 175420156
2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid
CID 114229341
8-methyl-9H-benzo[a]anthracene-8,9-diol
CID 25090610
(1-benzoylphenalen-1-yl)-phenylmethanone
CID 67113997
sodium;hydride;(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-naphthalen-1-yloxane-2-carboxylic acid
CID 174814579
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
CID 10576392
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
(1-benzyl-1-hydroxy-2H-naphthalen-2-yl) prop-2-enoate
CID 149436808
trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
CID 102094905

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid (CID 175533519) is 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid is O=C(O)CC1(c2cccc3ccccc23)c2ccccc2C=CC1O.
What is the InChIKey of 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid?
The InChIKey is IASZMZHSJOPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c23-20-13-12-16-7-2-4-10-18(16)22(20,14-21(24)25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,23H,14H2,(H,24,25).
What are the key properties of 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid?
2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid has a molecular weight of 330.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid is sourced from PubChem (CID 175533519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).