(1R)-4,4-diethoxy-1-phenylbutan-1-ol

C14H22O3 — CID 102265483

IUPAC(1R)-4,4-diethoxy-1-phenylbutan-1-ol
SMILESCCOC(CC[C@@H](O)c1ccccc1)OCC
InChIInChI=1S/C14H22O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyYPQHKKRMLSDHRY-CYBMUJFWSA-N
MW238.33 g/mol
LogP2.90
Rot. Bonds8

About (1R)-4,4-diethoxy-1-phenylbutan-1-ol

(1R)-4,4-diethoxy-1-phenylbutan-1-ol (PubChem CID 102265483) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1R)-4,4-diethoxy-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1R)-4,4-diethoxy-1-phenylbutan-1-ol
PubChem CID102265483
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1R)-4,4-diethoxy-1-phenylbutan-1-ol
SMILESCCOC(CC[C@@H](O)c1ccccc1)OCC
InChIInChI=1S/C14H22O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1
InChIKeyYPQHKKRMLSDHRY-CYBMUJFWSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-1-phenylpentan-1-ol
CID 6992754
1,4,4-triphenylbutan-1-ol
CID 141326006
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
(1R)-1-phenyloctan-1-ol
CID 12794259
1,3,3-triethoxypropylbenzene
CID 3754405
2-ethoxy-1,2-diphenylethanol
CID 3767197
[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol
CID 175052209
1-phenylpropane-1,3-diol
CID 572059
1-phenylpropan-1-ol;hydrate
CID 156782934
5-phenylpentane-1,2,5-triol
CID 82849671
5-methyl-1-phenylhexan-1-ol
CID 10997859

Frequently Asked Questions

What is the IUPAC name of (1R)-4,4-diethoxy-1-phenylbutan-1-ol?
The IUPAC name of (1R)-4,4-diethoxy-1-phenylbutan-1-ol (CID 102265483) is (1R)-4,4-diethoxy-1-phenylbutan-1-ol.
What is the SMILES notation for (1R)-4,4-diethoxy-1-phenylbutan-1-ol?
The canonical SMILES for (1R)-4,4-diethoxy-1-phenylbutan-1-ol is CCOC(CC[C@@H](O)c1ccccc1)OCC.
What is the InChIKey of (1R)-4,4-diethoxy-1-phenylbutan-1-ol?
The InChIKey is YPQHKKRMLSDHRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-16-14(17-4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9,13-15H,3-4,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-4,4-diethoxy-1-phenylbutan-1-ol?
(1R)-4,4-diethoxy-1-phenylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4-diethoxy-1-phenylbutan-1-ol is sourced from PubChem (CID 102265483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).