2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

C14H22O4 — CID 117389312

IUPAC2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1c(OC)ccc(C(C)(C)CO)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,9-15)11-6-7-12(17-4)10(8-16-3)13(11)18-5/h6-7,15H,8-9H2,1-5H3
InChIKeyFMIKXQRMOSCYJX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.12
Rot. Bonds6

About 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117389312) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117389312
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1c(OC)ccc(C(C)(C)CO)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,9-15)11-6-7-12(17-4)10(8-16-3)13(11)18-5/h6-7,15H,8-9H2,1-5H3
InChIKeyFMIKXQRMOSCYJX-UHFFFAOYSA-N
XLogP2.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 79837719
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117379898
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (CID 117389312) is 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is COCc1c(OC)ccc(C(C)(C)CO)c1OC.
What is the InChIKey of 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is FMIKXQRMOSCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-14(2,9-15)11-6-7-12(17-4)10(8-16-3)13(11)18-5/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117389312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).