1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol

C14H22O2 — CID 79197168

IUPAC1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H22O2/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13,15H,9H2,1-5H3
InChIKeyPGCAHIAJTSKYNK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol

1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 79197168) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
PubChem CID79197168
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C14H22O2/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13,15H,9H2,1-5H3
InChIKeyPGCAHIAJTSKYNK-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79198122
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1-(3,5-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 105405745
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1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 79045595
1-(3,4-dimethylphenyl)-4-methylpent-3-en-2-ol
CID 115817129
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155
4-[2-(chloromethyl)-3-methylbutyl]-1,2-dimethylbenzene
CID 66035218
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-3-methylbutan-2-ol
CID 116713778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol (CID 79197168) is 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is PGCAHIAJTSKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-6-7-12(8-11(10)2)9-13(15)14(3,4)16-5/h6-8,13,15H,9H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol?
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79197168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).