(3,6-diethoxy-2-fluorophenyl)methanol

C11H15FO3 — CID 164895475

IUPAC(3,6-diethoxy-2-fluorophenyl)methanol
SMILESCCOc1ccc(OCC)c(CO)c1F
InChIInChI=1S/C11H15FO3/c1-3-14-9-5-6-10(15-4-2)11(12)8(9)7-13/h5-6,13H,3-4,7H2,1-2H3
InChIKeySZCVYFUWIVOBHG-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.12
Rot. Bonds5

About (3,6-diethoxy-2-fluorophenyl)methanol

(3,6-diethoxy-2-fluorophenyl)methanol (PubChem CID 164895475) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is (3,6-diethoxy-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(3,6-diethoxy-2-fluorophenyl)methanol
PubChem CID164895475
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name(3,6-diethoxy-2-fluorophenyl)methanol
SMILESCCOc1ccc(OCC)c(CO)c1F
InChIInChI=1S/C11H15FO3/c1-3-14-9-5-6-10(15-4-2)11(12)8(9)7-13/h5-6,13H,3-4,7H2,1-2H3
InChIKeySZCVYFUWIVOBHG-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluoro-3-propoxyphenyl)methanol
CID 163198202
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
(4-ethoxy-2,3-difluorophenyl)methanimine
CID 130242678
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
(2S)-2-amino-3-(3-ethoxy-2,6-difluorophenyl)propanoic acid
CID 95604286

Frequently Asked Questions

What is the IUPAC name of (3,6-diethoxy-2-fluorophenyl)methanol?
The IUPAC name of (3,6-diethoxy-2-fluorophenyl)methanol (CID 164895475) is (3,6-diethoxy-2-fluorophenyl)methanol.
What is the SMILES notation for (3,6-diethoxy-2-fluorophenyl)methanol?
The canonical SMILES for (3,6-diethoxy-2-fluorophenyl)methanol is CCOc1ccc(OCC)c(CO)c1F.
What is the InChIKey of (3,6-diethoxy-2-fluorophenyl)methanol?
The InChIKey is SZCVYFUWIVOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-3-14-9-5-6-10(15-4-2)11(12)8(9)7-13/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of (3,6-diethoxy-2-fluorophenyl)methanol?
(3,6-diethoxy-2-fluorophenyl)methanol has a molecular weight of 214.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-diethoxy-2-fluorophenyl)methanol is sourced from PubChem (CID 164895475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).