2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol

C13H19ClO3 — CID 117400665

IUPAC2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cc(Cl)cc(OC)c1C(C)(C)CO
InChIInChI=1S/C13H19ClO3/c1-13(2,8-15)12-9(7-16-3)5-10(14)6-11(12)17-4/h5-6,15H,7-8H2,1-4H3
InChIKeyCOYGNBBFQZQNIK-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol

2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117400665) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117400665
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cc(Cl)cc(OC)c1C(C)(C)CO
InChIInChI=1S/C13H19ClO3/c1-13(2,8-15)12-9(7-16-3)5-10(14)6-11(12)17-4/h5-6,15H,7-8H2,1-4H3
InChIKeyCOYGNBBFQZQNIK-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117394664
1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117456395

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol (CID 117400665) is 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol is COCc1cc(Cl)cc(OC)c1C(C)(C)CO.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is COYGNBBFQZQNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-13(2,8-15)12-9(7-16-3)5-10(14)6-11(12)17-4/h5-6,15H,7-8H2,1-4H3.
What are the key properties of 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117400665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).