3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol

C10H13FO3 — CID 117289242

IUPAC3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1c(F)ccc(CCCO)c1O
InChIInChI=1S/C10H13FO3/c1-14-10-8(11)5-4-7(9(10)13)3-2-6-12/h4-5,12-13H,2-3,6H2,1H3
InChIKeyNUIJWAOOIXKJTA-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.46
Rot. Bonds4

About 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol

3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol (PubChem CID 117289242) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol.

Molecular Properties

Compound Name3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
PubChem CID117289242
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
SMILESCOc1c(F)ccc(CCCO)c1O
InChIInChI=1S/C10H13FO3/c1-14-10-8(11)5-4-7(9(10)13)3-2-6-12/h4-5,12-13H,2-3,6H2,1H3
InChIKeyNUIJWAOOIXKJTA-UHFFFAOYSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
3-fluoro-2-methoxy-6-[2-(methylamino)ethyl]phenol
CID 84668839
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
6-fluoro-3-(hydroxymethyl)-2-methoxyphenol
CID 117276907
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
3-(3-hydroxypropyl)-6-methylbenzene-1,2-diol
CID 117279140
(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol?
The IUPAC name of 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol (CID 117289242) is 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol.
What is the SMILES notation for 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol?
The canonical SMILES for 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol is COc1c(F)ccc(CCCO)c1O.
What is the InChIKey of 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol?
The InChIKey is NUIJWAOOIXKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-14-10-8(11)5-4-7(9(10)13)3-2-6-12/h4-5,12-13H,2-3,6H2,1H3.
What are the key properties of 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol?
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol has a molecular weight of 200.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol is sourced from PubChem (CID 117289242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).