[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol

C10H9BrF2O2 — CID 79887877

IUPAC[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
SMILESC=C(Br)COc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H9BrF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-3,14H,1,4-5H2
InChIKeyZFGHBOBDPIULPD-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.74
Rot. Bonds4

About [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol

[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol (PubChem CID 79887877) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
PubChem CID79887877
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
SMILESC=C(Br)COc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H9BrF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-3,14H,1,4-5H2
InChIKeyZFGHBOBDPIULPD-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol (CID 79887877) is [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol is C=C(Br)COc1c(F)cc(CO)cc1F.
What is the InChIKey of [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol?
The InChIKey is ZFGHBOBDPIULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-3,14H,1,4-5H2.
What are the key properties of [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol?
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol has a molecular weight of 279.08 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 79887877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).