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

C9H10ClFO — CID 130090893

IUPAC1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
SMILESCc1c(F)ccc(C(C)O)c1Cl
InChIInChI=1S/C9H10ClFO/c1-5-8(11)4-3-7(6(2)12)9(5)10/h3-4,6,12H,1-2H3
InChIKeyMXXJNWVXRSWSSR-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.84
Rot. Bonds1

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

1-(2-chloro-4-fluoro-3-methylphenyl)ethanol (PubChem CID 130090893) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
PubChem CID130090893
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
SMILESCc1c(F)ccc(C(C)O)c1Cl
InChIInChI=1S/C9H10ClFO/c1-5-8(11)4-3-7(6(2)12)9(5)10/h3-4,6,12H,1-2H3
InChIKeyMXXJNWVXRSWSSR-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-3-methylphenyl)ethanol
CID 84654323
4-amino-1-(2-chloro-4-fluoro-3-methylphenyl)butane-1,2-diol
CID 171881103
2-chloro-4-fluoro-3-methylaniline
CID 13251510
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
1-(2,4-difluoro-3-methylphenyl)ethanethiol
CID 155399048
3-chloro-1-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776741
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
1-(3-amino-2,4-dichlorophenyl)ethanol
CID 19833113
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol (CID 130090893) is 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol is Cc1c(F)ccc(C(C)O)c1Cl.
What is the InChIKey of 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol?
The InChIKey is MXXJNWVXRSWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-5-8(11)4-3-7(6(2)12)9(5)10/h3-4,6,12H,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol?
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol has a molecular weight of 188.63 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 130090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).