[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol

C12H16Cl2O2 — CID 43516162

IUPAC[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
SMILESCC(C)CCOc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C12H16Cl2O2/c1-8(2)3-4-16-12-9(7-15)5-10(13)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeySRTPTIYRPLSJAZ-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.91
Rot. Bonds5

About [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol

[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol (PubChem CID 43516162) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
PubChem CID43516162
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
SMILESCC(C)CCOc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C12H16Cl2O2/c1-8(2)3-4-16-12-9(7-15)5-10(13)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeySRTPTIYRPLSJAZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
CID 61490364
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247
[3-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 112612739
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
[3,5-dichloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 61493875
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
3-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900680
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol (CID 43516162) is [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol is CC(C)CCOc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol?
The InChIKey is SRTPTIYRPLSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c1-8(2)3-4-16-12-9(7-15)5-10(13)6-11(12)14/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol?
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol has a molecular weight of 263.16 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol is sourced from PubChem (CID 43516162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).