2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol

C11H13FO2 — CID 117286145

IUPAC2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
SMILESCc1cc(O)c(F)c(CC2(O)CC2)c1
InChIInChI=1S/C11H13FO2/c1-7-4-8(6-11(14)2-3-11)10(12)9(13)5-7/h4-5,13-14H,2-3,6H2,1H3
InChIKeyZXLXZMWRCHPBEE-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.91
Rot. Bonds2

About 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol

2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol (PubChem CID 117286145) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
PubChem CID117286145
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
SMILESCc1cc(O)c(F)c(CC2(O)CC2)c1
InChIInChI=1S/C11H13FO2/c1-7-4-8(6-11(14)2-3-11)10(12)9(13)5-7/h4-5,13-14H,2-3,6H2,1H3
InChIKeyZXLXZMWRCHPBEE-UHFFFAOYSA-N
XLogP1.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
CID 117447256
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426
1-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117312344
4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
CID 117354218
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2,3-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409977

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol?
The IUPAC name of 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol (CID 117286145) is 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol?
The canonical SMILES for 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol is Cc1cc(O)c(F)c(CC2(O)CC2)c1.
What is the InChIKey of 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol?
The InChIKey is ZXLXZMWRCHPBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-8(6-11(14)2-3-11)10(12)9(13)5-7/h4-5,13-14H,2-3,6H2,1H3.
What are the key properties of 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol?
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol has a molecular weight of 196.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol is sourced from PubChem (CID 117286145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).