4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid

C13H15BrO4 — CID 65213790

IUPAC4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1OCC1(O)CCCC1
InChIInChI=1S/C13H15BrO4/c14-9-3-4-10(12(15)16)11(7-9)18-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,16)
InChIKeyNDUVYVQRAHYQBH-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.83
Rot. Bonds4

About 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid

4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid (PubChem CID 65213790) has the molecular formula C13H15BrO4 and a molecular weight of 315.16 g/mol. Its IUPAC name is 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
PubChem CID65213790
Molecular FormulaC13H15BrO4
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1OCC1(O)CCCC1
InChIInChI=1S/C13H15BrO4/c14-9-3-4-10(12(15)16)11(7-9)18-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,16)
InChIKeyNDUVYVQRAHYQBH-UHFFFAOYSA-N
XLogP2.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
CID 65213548
4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
4-bromo-2-(6-hydroxyhexoxy)benzoic acid
CID 107702160
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
3,5-dibromo-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid
CID 107738643
4-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)benzoic acid
CID 103156157
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The IUPAC name of 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid (CID 65213790) is 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The canonical SMILES for 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid is O=C(O)c1ccc(Br)cc1OCC1(O)CCCC1.
What is the InChIKey of 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The InChIKey is NDUVYVQRAHYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO4/c14-9-3-4-10(12(15)16)11(7-9)18-8-13(17)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid has a molecular weight of 315.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-hydroxycyclopentyl)methoxy]benzoic acid is sourced from PubChem (CID 65213790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).