(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol

C14H22O2 — CID 63365378

IUPAC(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCC(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(15)12-6-5-7-13(10-12)16-9-8-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1
InChIKeyBEWZVTZZLQQCCR-LLVKDONJSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds4

About (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol

(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol (PubChem CID 63365378) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
PubChem CID63365378
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCC(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(15)12-6-5-7-13(10-12)16-9-8-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1
InChIKeyBEWZVTZZLQQCCR-LLVKDONJSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
CID 106726253
(1S)-1-[3-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 78933948
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol (CID 63365378) is (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCC(C)(C)C)c1.
What is the InChIKey of (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol?
The InChIKey is BEWZVTZZLQQCCR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)12-6-5-7-13(10-12)16-9-8-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol?
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol is sourced from PubChem (CID 63365378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).