6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol

C11H15ClO3 — CID 117333416

IUPAC6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
SMILESCOc1c(C(C)(C)CO)ccc(Cl)c1O
InChIInChI=1S/C11H15ClO3/c1-11(2,6-13)7-4-5-8(12)9(14)10(7)15-3/h4-5,13-14H,6H2,1-3H3
InChIKeyBYITVKDJSPWJHJ-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.32
Rot. Bonds3

About 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol

6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol (PubChem CID 117333416) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
PubChem CID117333416
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
SMILESCOc1c(C(C)(C)CO)ccc(Cl)c1O
InChIInChI=1S/C11H15ClO3/c1-11(2,6-13)7-4-5-8(12)9(14)10(7)15-3/h4-5,13-14H,6H2,1-3H3
InChIKeyBYITVKDJSPWJHJ-UHFFFAOYSA-N
XLogP2.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
3-(4-chloro-3-hydroxy-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117400353
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117358931
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
3-(aminooxymethyl)-6-chloro-2-methoxyphenol
CID 117292180
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The IUPAC name of 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol (CID 117333416) is 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol is COc1c(C(C)(C)CO)ccc(Cl)c1O.
What is the InChIKey of 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The InChIKey is BYITVKDJSPWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-11(2,6-13)7-4-5-8(12)9(14)10(7)15-3/h4-5,13-14H,6H2,1-3H3.
What are the key properties of 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol has a molecular weight of 230.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 117333416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).