[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol

C19H26O4Si — CID 175052209

IUPAC[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol
SMILESCCOC(CC)O[SiH](C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H26O4Si/c1-3-17(22-4-2)23-24(18(20)15-11-7-5-8-12-15)19(21)16-13-9-6-10-14-16/h5-14,17-21,24H,3-4H2,1-2H3
InChIKeyBCNOSWZHKNIGOS-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.05
Rot. Bonds9

About [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol

[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol (PubChem CID 175052209) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol.

Molecular Properties

Compound Name[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol
PubChem CID175052209
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Name[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol
SMILESCCOC(CC)O[SiH](C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H26O4Si/c1-3-17(22-4-2)23-24(18(20)15-11-7-5-8-12-15)19(21)16-13-9-6-10-14-16/h5-14,17-21,24H,3-4H2,1-2H3
InChIKeyBCNOSWZHKNIGOS-UHFFFAOYSA-N
XLogP3.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463
(2-ethoxy-1-phenylbutyl)benzene
CID 15499938
2-ethoxy-1,2-diphenylethanol
CID 3767197
1,3,3-triethoxypropylbenzene
CID 3754405
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
(E,1R,2S)-2-ethoxy-1-phenylpent-3-en-1-ol
CID 102092831
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
ethyl 2-phenylbutanoate;sulfane
CID 174662373
N-(2,2-diethoxyethyl)-2,2-diphenylethanamine
CID 70269046
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol?
The IUPAC name of [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol (CID 175052209) is [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol.
What is the SMILES notation for [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol?
The canonical SMILES for [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol is CCOC(CC)O[SiH](C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol?
The InChIKey is BCNOSWZHKNIGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4Si/c1-3-17(22-4-2)23-24(18(20)15-11-7-5-8-12-15)19(21)16-13-9-6-10-14-16/h5-14,17-21,24H,3-4H2,1-2H3.
What are the key properties of [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol?
[1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol has a molecular weight of 346.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxypropoxy-[hydroxy(phenyl)methyl]silyl]-phenylmethanol is sourced from PubChem (CID 175052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).