(2-fluoro-5-prop-1-ynylphenyl)methanol

C10H9FO — CID 67687756

IUPAC(2-fluoro-5-prop-1-ynylphenyl)methanol
SMILESCC#Cc1ccc(F)c(CO)c1
InChIInChI=1S/C10H9FO/c1-2-3-8-4-5-10(11)9(6-8)7-12/h4-6,12H,7H2,1H3
InChIKeyFJOXNHOYWAIBCJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.69
Rot. Bonds1

About (2-fluoro-5-prop-1-ynylphenyl)methanol

(2-fluoro-5-prop-1-ynylphenyl)methanol (PubChem CID 67687756) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is (2-fluoro-5-prop-1-ynylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-prop-1-ynylphenyl)methanol
PubChem CID67687756
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name(2-fluoro-5-prop-1-ynylphenyl)methanol
SMILESCC#Cc1ccc(F)c(CO)c1
InChIInChI=1S/C10H9FO/c1-2-3-8-4-5-10(11)9(6-8)7-12/h4-6,12H,7H2,1H3
InChIKeyFJOXNHOYWAIBCJ-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)-4-prop-1-ynylphenyl]methanol
CID 67687070
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316
[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methylcarbamic acid
CID 139822441
[5-(ethylamino)-2-fluorophenyl]methanol
CID 167978099
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
4-fluoro-3-[[4-(hydroxymethyl)-2,6-dimethylphenoxy]methyl]benzonitrile
CID 28933257
3-[4-fluoro-3-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117325421
2-[2-fluoro-5-[4-(methylamino)but-1-ynyl]phenyl]acetic acid
CID 170464819
4-[3-(hydroxymethyl)-4-methylphenyl]but-3-yn-1-ol
CID 130712503
1-[4-fluoro-3-(hydroxymethyl)phenyl]butane-1,2,4-triol
CID 171872202
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-prop-1-ynylphenyl)methanol?
The IUPAC name of (2-fluoro-5-prop-1-ynylphenyl)methanol (CID 67687756) is (2-fluoro-5-prop-1-ynylphenyl)methanol.
What is the SMILES notation for (2-fluoro-5-prop-1-ynylphenyl)methanol?
The canonical SMILES for (2-fluoro-5-prop-1-ynylphenyl)methanol is CC#Cc1ccc(F)c(CO)c1.
What is the InChIKey of (2-fluoro-5-prop-1-ynylphenyl)methanol?
The InChIKey is FJOXNHOYWAIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-2-3-8-4-5-10(11)9(6-8)7-12/h4-6,12H,7H2,1H3.
What are the key properties of (2-fluoro-5-prop-1-ynylphenyl)methanol?
(2-fluoro-5-prop-1-ynylphenyl)methanol has a molecular weight of 164.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-prop-1-ynylphenyl)methanol is sourced from PubChem (CID 67687756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).