3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol

C14H22O2 — CID 94258956

IUPAC3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCCc1ccc(OC)c(CC(C)(C)CO)c1
InChIInChI=1S/C14H22O2/c1-5-11-6-7-13(16-4)12(8-11)9-14(2,3)10-15/h6-8,15H,5,9-10H2,1-4H3
InChIKeyIANWOHFPEWJPCL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.82
Rot. Bonds5

About 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol

3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 94258956) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
PubChem CID94258956
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
SMILESCCc1ccc(OC)c(CC(C)(C)CO)c1
InChIInChI=1S/C14H22O2/c1-5-11-6-7-13(16-4)12(8-11)9-14(2,3)10-15/h6-8,15H,5,9-10H2,1-4H3
InChIKeyIANWOHFPEWJPCL-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol (CID 94258956) is 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol is CCc1ccc(OC)c(CC(C)(C)CO)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is IANWOHFPEWJPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-11-6-7-13(16-4)12(8-11)9-14(2,3)10-15/h6-8,15H,5,9-10H2,1-4H3.
What are the key properties of 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol?
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 94258956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).