(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol

C16H16BrFO2 — CID 104661170

IUPAC(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H16BrFO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3
InChIKeyGHLTTZOHBNVVLF-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.46
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol

(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol (PubChem CID 104661170) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
PubChem CID104661170
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H16BrFO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3
InChIKeyGHLTTZOHBNVVLF-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2,4-difluorobenzene
CID 104661943
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
(3-bromo-4-propoxyphenyl)-(5-chlorothiophen-2-yl)methanol
CID 104661241
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
5-[(3-bromo-4-propoxyphenyl)-hydroxymethyl]-1H-imidazole-4-carboxylic acid
CID 116520354
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol (CID 104661170) is (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol is CCCOc1ccc(C(O)c2ccc(F)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol?
The InChIKey is GHLTTZOHBNVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-9-20-15-8-5-12(10-14(15)17)16(19)11-3-6-13(18)7-4-11/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol?
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol has a molecular weight of 339.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 104661170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).