1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol

C13H19ClO2 — CID 104546198

IUPAC1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)C(C)C
InChIInChI=1S/C13H19ClO2/c1-8(2)9(3)13(15)11-7-10(14)5-6-12(11)16-4/h5-9,13,15H,1-4H3
InChIKeyNNQZIUWHXJVZOD-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.67
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol (PubChem CID 104546198) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
PubChem CID104546198
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)C(C)C(C)C
InChIInChI=1S/C13H19ClO2/c1-8(2)9(3)13(15)11-7-10(14)5-6-12(11)16-4/h5-9,13,15H,1-4H3
InChIKeyNNQZIUWHXJVZOD-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
(2S)-1-[1-(5-chloro-2-methoxyphenyl)ethylamino]propan-2-ol
CID 103906405
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol (CID 104546198) is 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol is COc1ccc(Cl)cc1C(O)C(C)C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol?
The InChIKey is NNQZIUWHXJVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-8(2)9(3)13(15)11-7-10(14)5-6-12(11)16-4/h5-9,13,15H,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol?
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 104546198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).