(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol

C14H10BrClF2O — CID 107103554

IUPAC(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c1-7-8(3-2-4-10(7)16)14(19)12-11(17)6-5-9(15)13(12)18/h2-6,14,19H,1H3
InChIKeyFSAXNBVDUXRPEX-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.77
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol

(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol (PubChem CID 107103554) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
PubChem CID107103554
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF2O/c1-7-8(3-2-4-10(7)16)14(19)12-11(17)6-5-9(15)13(12)18/h2-6,14,19H,1H3
InChIKeyFSAXNBVDUXRPEX-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
CID 106945108
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
[(3-bromo-2-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103876
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
CID 79743340

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol (CID 107103554) is (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol is Cc1c(Cl)cccc1C(O)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol?
The InChIKey is FSAXNBVDUXRPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c1-7-8(3-2-4-10(7)16)14(19)12-11(17)6-5-9(15)13(12)18/h2-6,14,19H,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol?
(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol has a molecular weight of 347.59 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 107103554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).