(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol

C19H24O3 — CID 125466229

IUPAC(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
SMILESCCOC(OCC)c1ccc([C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-3-21-19(22-4-2)17-12-10-16(11-13-17)18(20)14-15-8-6-5-7-9-15/h5-13,18-20H,3-4,14H2,1-2H3/t18-/m1/s1
InChIKeyAQJJNVZYOBHTPO-GOSISDBHSA-N
MW300.40 g/mol
LogP4.03
Rot. Bonds8

About (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol

(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol (PubChem CID 125466229) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
PubChem CID125466229
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
SMILESCCOC(OCC)c1ccc([C@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-3-21-19(22-4-2)17-12-10-16(11-13-17)18(20)14-15-8-6-5-7-9-15/h5-13,18-20H,3-4,14H2,1-2H3/t18-/m1/s1
InChIKeyAQJJNVZYOBHTPO-GOSISDBHSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.03
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

(1R)-1,2-diphenylethanol
CID 1379022
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-amino-3-[4-(diethoxymethyl)phenyl]propan-1-ol;hydrochloride
CID 170891950
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(2-bromo-2-ethoxyethyl)benzene
CID 18694508
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
CID 67327609

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol?
The IUPAC name of (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol (CID 125466229) is (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol.
What is the SMILES notation for (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol?
The canonical SMILES for (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol is CCOC(OCC)c1ccc([C@H](O)Cc2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol?
The InChIKey is AQJJNVZYOBHTPO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-21-19(22-4-2)17-12-10-16(11-13-17)18(20)14-15-8-6-5-7-9-15/h5-13,18-20H,3-4,14H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol?
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol has a molecular weight of 300.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol is sourced from PubChem (CID 125466229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).