(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol

C15H13BrClFO3 — CID 61081002

IUPAC(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1OC
InChIInChI=1S/C15H13BrClFO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyVNALFTWNMNSHOO-UHFFFAOYSA-N
MW375.62 g/mol
LogP4.34
Rot. Bonds4

About (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol

(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol (PubChem CID 61081002) has the molecular formula C15H13BrClFO3 and a molecular weight of 375.62 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
PubChem CID61081002
Molecular FormulaC15H13BrClFO3
Molecular Weight375.62 g/mol
Exact Mass373.97
IUPAC Name(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1OC
InChIInChI=1S/C15H13BrClFO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3
InChIKeyVNALFTWNMNSHOO-UHFFFAOYSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(3-bromo-5-fluorophenyl)methanol
CID 61088517
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
1-bromo-2-[(3-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432255
1-[bromo-(3-bromo-5-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443346
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(2-chloro-4,5-dimethoxyphenyl)-thiophen-3-ylmethanol
CID 61081785
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol (CID 61081002) is (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol is COc1cc(Cl)c(C(O)c2cc(F)cc(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
The InChIKey is VNALFTWNMNSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO3/c1-20-13-6-11(12(17)7-14(13)21-2)15(19)8-3-9(16)5-10(18)4-8/h3-7,15,19H,1-2H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol?
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol has a molecular weight of 375.62 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 61081002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).