2,2-dimethyl-4-phenoxybutan-1-ol

C12H18O2 — CID 66024282

IUPAC2,2-dimethyl-4-phenoxybutan-1-ol
SMILESCC(C)(CO)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-12(2,10-13)8-9-14-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKeyDWKQIVRJAWNVTH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.47
Rot. Bonds5

About 2,2-dimethyl-4-phenoxybutan-1-ol

2,2-dimethyl-4-phenoxybutan-1-ol (PubChem CID 66024282) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenoxybutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-phenoxybutan-1-ol
PubChem CID66024282
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,2-dimethyl-4-phenoxybutan-1-ol
SMILESCC(C)(CO)CCOc1ccccc1
InChIInChI=1S/C12H18O2/c1-12(2,10-13)8-9-14-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKeyDWKQIVRJAWNVTH-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-ethyl-2-methyl-5-phenoxypentan-1-ol
CID 66059804
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-methyl-2-(methylamino)-5-phenoxypentan-1-ol
CID 64803953
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
2-(4-bromophenyl)-2-(2-phenoxyethyl)propane-1,3-diol
CID 79445508

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenoxybutan-1-ol?
The IUPAC name of 2,2-dimethyl-4-phenoxybutan-1-ol (CID 66024282) is 2,2-dimethyl-4-phenoxybutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-4-phenoxybutan-1-ol?
The canonical SMILES for 2,2-dimethyl-4-phenoxybutan-1-ol is CC(C)(CO)CCOc1ccccc1.
What is the InChIKey of 2,2-dimethyl-4-phenoxybutan-1-ol?
The InChIKey is DWKQIVRJAWNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,10-13)8-9-14-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenoxybutan-1-ol?
2,2-dimethyl-4-phenoxybutan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenoxybutan-1-ol is sourced from PubChem (CID 66024282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).