[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol

C11H12ClFO — CID 116963511

IUPAC[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
SMILESCc1cc(Cl)c(C2(CO)CC2)cc1F
InChIInChI=1S/C11H12ClFO/c1-7-4-9(12)8(5-10(7)13)11(6-14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyRYXSVSFTLDAFNM-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.81
Rot. Bonds2

About [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol

[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol (PubChem CID 116963511) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
PubChem CID116963511
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
SMILESCc1cc(Cl)c(C2(CO)CC2)cc1F
InChIInChI=1S/C11H12ClFO/c1-7-4-9(12)8(5-10(7)13)11(6-14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyRYXSVSFTLDAFNM-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-[1-(hydroxymethyl)cyclopropyl]benzene-1,2-diol
CID 105425981
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 116842767
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
3-(2-chloro-5-fluoro-4-methylphenyl)oxetane-3-carbaldehyde
CID 116872429
1-(5-chloro-4-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117289605
1-[3-(2-chloro-5-fluoro-4-methylphenyl)oxetan-3-yl]ethanamine
CID 116869436
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol (CID 116963511) is [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol is Cc1cc(Cl)c(C2(CO)CC2)cc1F.
What is the InChIKey of [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol?
The InChIKey is RYXSVSFTLDAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-7-4-9(12)8(5-10(7)13)11(6-14)2-3-11/h4-5,14H,2-3,6H2,1H3.
What are the key properties of [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol?
[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol has a molecular weight of 214.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 116963511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).