3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid

C20H16Br2O4 — CID 10116680

IUPAC3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C20H16Br2O4/c21-16-8-13(10-18(23)20(24)25)9-17(22)19(16)26-11-12-5-6-14-3-1-2-4-15(14)7-12/h1-9,18,23H,10-11H2,(H,24,25)
InChIKeyFAVJFSWZYNDLOI-UHFFFAOYSA-N
MW480.15 g/mol
LogP4.93
Rot. Bonds6

About 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid

3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid (PubChem CID 10116680) has the molecular formula C20H16Br2O4 and a molecular weight of 480.15 g/mol. Its IUPAC name is 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid
PubChem CID10116680
Molecular FormulaC20H16Br2O4
Molecular Weight480.15 g/mol
Exact Mass477.94
IUPAC Name3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1
InChIInChI=1S/C20H16Br2O4/c21-16-8-13(10-18(23)20(24)25)9-17(22)19(16)26-11-12-5-6-14-3-1-2-4-15(14)7-12/h1-9,18,23H,10-11H2,(H,24,25)
InChIKeyFAVJFSWZYNDLOI-UHFFFAOYSA-N
XLogP4.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.15
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoic acid
CID 142778160
(2R)-3-[3,5-dibromo-4-[(2-chloro-3-nitrophenyl)methoxy]phenyl]-2-hydroxypropanoic acid
CID 71198054
3-[3,5-dibromo-4-[[2-chloro-3-(methanesulfonamido)phenyl]methoxy]phenyl]-2-hydroxypropanoic acid
CID 69398929
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
(2S)-2-amino-3-[4-[[5-amino-2-(naphthalen-2-ylmethoxy)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid
CID 171481936
3-[[4-(2-carboxy-2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 141111716
2-amino-3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid;N,N-diethylethanamine
CID 10166641
3-(3,5-dibromo-4-phenylmethoxyphenyl)propanoic acid
CID 23648092
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid?
The IUPAC name of 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid (CID 10116680) is 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid is O=C(O)C(O)Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1.
What is the InChIKey of 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid?
The InChIKey is FAVJFSWZYNDLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2O4/c21-16-8-13(10-18(23)20(24)25)9-17(22)19(16)26-11-12-5-6-14-3-1-2-4-15(14)7-12/h1-9,18,23H,10-11H2,(H,24,25).
What are the key properties of 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid?
3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid has a molecular weight of 480.15 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid is sourced from PubChem (CID 10116680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).