1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol

C11H12ClFO — CID 117305950

IUPAC1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1ccc(F)c(Cl)c1CC1(O)CC1
InChIInChI=1S/C11H12ClFO/c1-7-2-3-9(13)10(12)8(7)6-11(14)4-5-11/h2-3,14H,4-6H2,1H3
InChIKeyWZQDWEKPMMEEJV-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.85
Rot. Bonds2

About 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol

1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117305950) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
PubChem CID117305950
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1ccc(F)c(Cl)c1CC1(O)CC1
InChIInChI=1S/C11H12ClFO/c1-7-2-3-9(13)10(12)8(7)6-11(14)4-5-11/h2-3,14H,4-6H2,1H3
InChIKeyWZQDWEKPMMEEJV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
1-[(2,6-difluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409974
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
CID 117326090
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol (CID 117305950) is 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol is Cc1ccc(F)c(Cl)c1CC1(O)CC1.
What is the InChIKey of 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is WZQDWEKPMMEEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-7-2-3-9(13)10(12)8(7)6-11(14)4-5-11/h2-3,14H,4-6H2,1H3.
What are the key properties of 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol?
1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117305950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).