[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol

C12H16F2O2 — CID 91655725

IUPAC[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol
SMILESCC(C)CCOc1cc(CO)cc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-8(2)3-4-16-11-6-9(7-15)5-10(13)12(11)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyORVLJUFKTPPYDA-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.88
Rot. Bonds5

About [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol

[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol (PubChem CID 91655725) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol
PubChem CID91655725
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol
SMILESCC(C)CCOc1cc(CO)cc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-8(2)3-4-16-11-6-9(7-15)5-10(13)12(11)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyORVLJUFKTPPYDA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dimethyl-4-(4-methylpentoxy)phenyl]methanol
CID 83157323
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
1-[3,4-difluoro-5-(3-methoxypropoxy)phenyl]-3-methylbutan-2-amine
CID 118251939
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
CID 69302382
4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
CID 66100154
[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 63077921
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
4-fluoro-3,5-di(propan-2-yloxy)benzoic acid;[4-fluoro-3,5-di(propan-2-yloxy)phenyl]methanol
CID 162192945

Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol?
The IUPAC name of [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol (CID 91655725) is [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol.
What is the SMILES notation for [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol?
The canonical SMILES for [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol is CC(C)CCOc1cc(CO)cc(F)c1F.
What is the InChIKey of [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol?
The InChIKey is ORVLJUFKTPPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-8(2)3-4-16-11-6-9(7-15)5-10(13)12(11)14/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol?
[3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol has a molecular weight of 230.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(3-methylbutoxy)phenyl]methanol is sourced from PubChem (CID 91655725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).