(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol

C14H11ClFIO — CID 103216999

IUPAC(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7,14,18H,1H3
InChIKeyFILTZNYKAWTEGS-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.47
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol

(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 103216999) has the molecular formula C14H11ClFIO and a molecular weight of 376.60 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID103216999
Molecular FormulaC14H11ClFIO
Molecular Weight376.60 g/mol
Exact Mass375.95
IUPAC Name(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7,14,18H,1H3
InChIKeyFILTZNYKAWTEGS-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
[4-(dimethylamino)phenyl]-(3-fluoro-5-methylphenyl)methanol
CID 79692029
(2,6-dichlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 79690334
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol (CID 103216999) is (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is FILTZNYKAWTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFIO/c1-8-4-10(6-11(16)5-8)14(18)9-2-3-13(17)12(15)7-9/h2-7,14,18H,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol?
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 376.60 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 103216999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).