(3-fluoro-2-pentan-2-yloxyphenyl)methanol

C12H17FO2 — CID 107892337

IUPAC(3-fluoro-2-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(F)cccc1CO
InChIInChI=1S/C12H17FO2/c1-3-5-9(2)15-12-10(8-14)6-4-7-11(12)13/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeySNZXDQIOEZFZRW-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.89
Rot. Bonds5

About (3-fluoro-2-pentan-2-yloxyphenyl)methanol

(3-fluoro-2-pentan-2-yloxyphenyl)methanol (PubChem CID 107892337) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is (3-fluoro-2-pentan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-pentan-2-yloxyphenyl)methanol
PubChem CID107892337
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name(3-fluoro-2-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(F)cccc1CO
InChIInChI=1S/C12H17FO2/c1-3-5-9(2)15-12-10(8-14)6-4-7-11(12)13/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeySNZXDQIOEZFZRW-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
(3-methoxy-2-pentan-2-yloxyphenyl)methanol
CID 107892192
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol
CID 59778976
(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
CID 107892314
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
CID 114058524

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pentan-2-yloxyphenyl)methanol?
The IUPAC name of (3-fluoro-2-pentan-2-yloxyphenyl)methanol (CID 107892337) is (3-fluoro-2-pentan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-fluoro-2-pentan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-fluoro-2-pentan-2-yloxyphenyl)methanol is CCCC(C)Oc1c(F)cccc1CO.
What is the InChIKey of (3-fluoro-2-pentan-2-yloxyphenyl)methanol?
The InChIKey is SNZXDQIOEZFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-3-5-9(2)15-12-10(8-14)6-4-7-11(12)13/h4,6-7,9,14H,3,5,8H2,1-2H3.
What are the key properties of (3-fluoro-2-pentan-2-yloxyphenyl)methanol?
(3-fluoro-2-pentan-2-yloxyphenyl)methanol has a molecular weight of 212.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-pentan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107892337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).