(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol

C12H16F2O2 — CID 107892314

IUPAC(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C12H16F2O2/c1-3-4-8(2)16-12-10(13)5-9(7-15)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeySXIGSETWCWJSKJ-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.02
Rot. Bonds5

About (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol

(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol (PubChem CID 107892314) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
PubChem CID107892314
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C12H16F2O2/c1-3-4-8(2)16-12-10(13)5-9(7-15)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeySXIGSETWCWJSKJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
5-(chloromethyl)-1,3-dimethyl-2-pentan-2-yloxybenzene
CID 107896120
(3-chloro-4-pentan-2-yloxyphenyl)methanol
CID 107892219
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]pentanoic acid
CID 107739093
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol?
The IUPAC name of (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol (CID 107892314) is (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol?
The canonical SMILES for (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol is CCCC(C)Oc1c(F)cc(CO)cc1F.
What is the InChIKey of (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol?
The InChIKey is SXIGSETWCWJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-3-4-8(2)16-12-10(13)5-9(7-15)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol?
(3,5-difluoro-4-pentan-2-yloxyphenyl)methanol has a molecular weight of 230.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-pentan-2-yloxyphenyl)methanol is sourced from PubChem (CID 107892314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).