4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol

C17H18ClFO — CID 21396515

IUPAC4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(C(C)(O)CCCl)cc1
InChIInChI=1S/C17H18ClFO/c1-12-11-15(19)7-8-16(12)13-3-5-14(6-4-13)17(2,20)9-10-18/h3-8,11,20H,9-10H2,1-2H3
InChIKeyLGMYFGDIHPMUAE-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol

4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol (PubChem CID 21396515) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol
PubChem CID21396515
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol
SMILESCc1cc(F)ccc1-c1ccc(C(C)(O)CCCl)cc1
InChIInChI=1S/C17H18ClFO/c1-12-11-15(19)7-8-16(12)13-3-5-14(6-4-13)17(2,20)9-10-18/h3-8,11,20H,9-10H2,1-2H3
InChIKeyLGMYFGDIHPMUAE-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 114349198
4-hydroxy-4-[4-(2-methylphenyl)phenyl]pentanenitrile
CID 21396491
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 55116404
3-[4-(2,4-dibromophenyl)phenyl]butane-1,3-diol
CID 21322597
5-fluoro-2-(2,4,5-trimethylphenyl)phenol
CID 83129935
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol?
The IUPAC name of 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol (CID 21396515) is 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol?
The canonical SMILES for 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol is Cc1cc(F)ccc1-c1ccc(C(C)(O)CCCl)cc1.
What is the InChIKey of 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol?
The InChIKey is LGMYFGDIHPMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-12-11-15(19)7-8-16(12)13-3-5-14(6-4-13)17(2,20)9-10-18/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol?
4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluoro-2-methylphenyl)phenyl]butan-2-ol is sourced from PubChem (CID 21396515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).