(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol

C12H14F2O — CID 107512916

IUPAC(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
SMILESCc1ccc(C(O)C2CC2C)c(F)c1F
InChIInChI=1S/C12H14F2O/c1-6-3-4-8(11(14)10(6)13)12(15)9-5-7(9)2/h3-4,7,9,12,15H,5H2,1-2H3
InChIKeyPWBHFZFAXXIDKN-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.96
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol

(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol (PubChem CID 107512916) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
PubChem CID107512916
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
SMILESCc1ccc(C(O)C2CC2C)c(F)c1F
InChIInChI=1S/C12H14F2O/c1-6-3-4-8(11(14)10(6)13)12(15)9-5-7(9)2/h3-4,7,9,12,15H,5H2,1-2H3
InChIKeyPWBHFZFAXXIDKN-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
CID 82822778
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
CID 107512914
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
(2-chlorophenyl)-(2-methylcyclopropyl)methanol
CID 65421692
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
CID 65422564
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 107512959
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65420822
1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 107513043
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol (CID 107512916) is (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol is Cc1ccc(C(O)C2CC2C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol?
The InChIKey is PWBHFZFAXXIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-6-3-4-8(11(14)10(6)13)12(15)9-5-7(9)2/h3-4,7,9,12,15H,5H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol?
(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol has a molecular weight of 212.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 107512916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).