(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol

C9H10ClFO — CID 93182268

IUPAC(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@@H](O)CCl)ccc1F
InChIInChI=1S/C9H10ClFO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4,9,12H,5H2,1H3/t9-/m0/s1
InChIKeyIGGDEZADZKBFKG-VIFPVBQESA-N
MW188.63 g/mol
LogP2.41
Rot. Bonds2

About (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol

(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 93182268) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
PubChem CID93182268
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1cc([C@@H](O)CCl)ccc1F
InChIInChI=1S/C9H10ClFO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4,9,12H,5H2,1H3/t9-/m0/s1
InChIKeyIGGDEZADZKBFKG-VIFPVBQESA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.41
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

(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
2-tert-butylsulfanyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 65132980
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044

Frequently Asked Questions

What is the IUPAC name of (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol (CID 93182268) is (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol is Cc1cc([C@@H](O)CCl)ccc1F.
What is the InChIKey of (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is IGGDEZADZKBFKG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClFO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4,9,12H,5H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol?
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol has a molecular weight of 188.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 93182268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).