1-fluoro-2-methylbenzene;phenol

C13H13FO — CID 159985106

IUPAC1-fluoro-2-methylbenzene;phenol
SMILESCc1ccccc1F.Oc1ccccc1
InChIInChI=1S/C7H7F.C6H6O/c1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6/h2-5H,1H3;1-5,7H
InChIKeyOGFSUFZODCBPHO-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.53
Rot. Bonds

About 1-fluoro-2-methylbenzene;phenol

1-fluoro-2-methylbenzene;phenol (PubChem CID 159985106) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-fluoro-2-methylbenzene;phenol.

Molecular Properties

Compound Name1-fluoro-2-methylbenzene;phenol
PubChem CID159985106
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name1-fluoro-2-methylbenzene;phenol
SMILESCc1ccccc1F.Oc1ccccc1
InChIInChI=1S/C7H7F.C6H6O/c1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6/h2-5H,1H3;1-5,7H
InChIKeyOGFSUFZODCBPHO-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;1-fluoro-2-methylbenzene
CID 175248306
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
1-fluoro-2-methylbenzene;formaldehyde
CID 143723361
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
ethane;1-fluoro-2-methylbenzene;propane
CID 143588585
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
methoxymethane;phenol
CID 18763564
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985
ethane;phenol
CID 161156308
1-fluoro-2-methylbenzene;isocyanic acid
CID 175401975
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;toluene
CID 160743052

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylbenzene;phenol?
The IUPAC name of 1-fluoro-2-methylbenzene;phenol (CID 159985106) is 1-fluoro-2-methylbenzene;phenol.
What is the SMILES notation for 1-fluoro-2-methylbenzene;phenol?
The canonical SMILES for 1-fluoro-2-methylbenzene;phenol is Cc1ccccc1F.Oc1ccccc1.
What is the InChIKey of 1-fluoro-2-methylbenzene;phenol?
The InChIKey is OGFSUFZODCBPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C6H6O/c1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6/h2-5H,1H3;1-5,7H.
What are the key properties of 1-fluoro-2-methylbenzene;phenol?
1-fluoro-2-methylbenzene;phenol has a molecular weight of 204.24 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylbenzene;phenol is sourced from PubChem (CID 159985106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).