(4-fluoro-3-methylphenyl)methanediol

C8H9FO2 — CID 45090626

IUPAC(4-fluoro-3-methylphenyl)methanediol
SMILESCc1cc(C(O)O)ccc1F
InChIInChI=1S/C8H9FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,8,10-11H,1H3
InChIKeySOFUKDUMMOUXQX-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.12
Rot. Bonds1

About (4-fluoro-3-methylphenyl)methanediol

(4-fluoro-3-methylphenyl)methanediol (PubChem CID 45090626) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)methanediol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)methanediol
PubChem CID45090626
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(4-fluoro-3-methylphenyl)methanediol
SMILESCc1cc(C(O)O)ccc1F
InChIInChI=1S/C8H9FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,8,10-11H,1H3
InChIKeySOFUKDUMMOUXQX-UHFFFAOYSA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)methanediol?
The IUPAC name of (4-fluoro-3-methylphenyl)methanediol (CID 45090626) is (4-fluoro-3-methylphenyl)methanediol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)methanediol?
The canonical SMILES for (4-fluoro-3-methylphenyl)methanediol is Cc1cc(C(O)O)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)methanediol?
The InChIKey is SOFUKDUMMOUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,8,10-11H,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)methanediol?
(4-fluoro-3-methylphenyl)methanediol has a molecular weight of 156.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)methanediol is sourced from PubChem (CID 45090626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).