2,3-dimethyl-3-phenylmethoxybutan-2-ol

C13H20O2 — CID 14223230

IUPAC2,3-dimethyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(O)C(C)(C)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-12(2,14)13(3,4)15-10-11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeyJIQHGNDNLXYSMN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.75
Rot. Bonds4

About 2,3-dimethyl-3-phenylmethoxybutan-2-ol

2,3-dimethyl-3-phenylmethoxybutan-2-ol (PubChem CID 14223230) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-dimethyl-3-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-phenylmethoxybutan-2-ol
PubChem CID14223230
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3-dimethyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(O)C(C)(C)OCc1ccccc1
InChIInChI=1S/C13H20O2/c1-12(2,14)13(3,4)15-10-11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeyJIQHGNDNLXYSMN-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
trifluoro(2-phenylmethoxypropan-2-yl)boranuide
CID 153353035
boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 174908128
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
methoxy-phenyl-phenylmethoxymethanol
CID 168654991
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
CID 14003290
2-phenylmethoxy-2-propan-2-ylpropanedioic acid
CID 21275279
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-phenylmethoxybutan-2-ol (CID 14223230) is 2,3-dimethyl-3-phenylmethoxybutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-phenylmethoxybutan-2-ol is CC(C)(O)C(C)(C)OCc1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The InChIKey is JIQHGNDNLXYSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2,14)13(3,4)15-10-11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-phenylmethoxybutan-2-ol?
2,3-dimethyl-3-phenylmethoxybutan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-phenylmethoxybutan-2-ol is sourced from PubChem (CID 14223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).