4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol

C10H10BrFO2 — CID 117406412

IUPAC4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1ccc(Br)c(F)c1CC1(O)CC1
InChIInChI=1S/C10H10BrFO2/c11-7-1-2-8(13)6(9(7)12)5-10(14)3-4-10/h1-2,13-14H,3-5H2
InChIKeyUTFAPGRAGMMFAB-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.36
Rot. Bonds2

About 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol

4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol (PubChem CID 117406412) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
PubChem CID117406412
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1ccc(Br)c(F)c1CC1(O)CC1
InChIInChI=1S/C10H10BrFO2/c11-7-1-2-8(13)6(9(7)12)5-10(14)3-4-10/h1-2,13-14H,3-5H2
InChIKeyUTFAPGRAGMMFAB-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
3-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 114165872
1-(3-bromo-2-fluoro-6-hydroxyphenyl)propan-2-one
CID 83900104
6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
CID 117447256
6-bromo-1-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
CID 117473030
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
4-[(3-bromo-2,6-difluorophenyl)methyl]-1-propylazepan-4-ol
CID 106265398
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The IUPAC name of 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol (CID 117406412) is 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol.
What is the SMILES notation for 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The canonical SMILES for 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol is Oc1ccc(Br)c(F)c1CC1(O)CC1.
What is the InChIKey of 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The InChIKey is UTFAPGRAGMMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-7-1-2-8(13)6(9(7)12)5-10(14)3-4-10/h1-2,13-14H,3-5H2.
What are the key properties of 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol has a molecular weight of 261.09 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol is sourced from PubChem (CID 117406412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).