(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol

C21H28O4 — CID 155023348

IUPAC(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
SMILESCC(C)OCC(O)c1cccc(C(C)OC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C21H28O4/c1-15(2)24-13-21(23)19-11-7-10-18(12-19)16(3)25-14-20(22)17-8-5-4-6-9-17/h4-12,15-16,20-23H,13-14H2,1-3H3/t16?,20-,21?/m0/s1
InChIKeyGRJYANHNIFKRAV-WJAMPBCPSA-N
MW344.45 g/mol
LogP3.96
Rot. Bonds9

About (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol

(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol (PubChem CID 155023348) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
PubChem CID155023348
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol
SMILESCC(C)OCC(O)c1cccc(C(C)OC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C21H28O4/c1-15(2)24-13-21(23)19-11-7-10-18(12-19)16(3)25-14-20(22)17-8-5-4-6-9-17/h4-12,15-16,20-23H,13-14H2,1-3H3/t16?,20-,21?/m0/s1
InChIKeyGRJYANHNIFKRAV-WJAMPBCPSA-N
XLogP3.96
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
1-(4-fluorophenyl)-2-propan-2-yloxyethanol
CID 79567387
benzene;2-methoxy-1-phenylethanol
CID 174622919
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
CID 107978543
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
1-bromo-3-[1-(1-phenylethoxy)propan-2-yl]benzene
CID 174259329
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
(2-hydroxy-2-phenylethyl) hypochlorite;scandium
CID 155773445
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol?
The IUPAC name of (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol (CID 155023348) is (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol?
The canonical SMILES for (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol is CC(C)OCC(O)c1cccc(C(C)OC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol?
The InChIKey is GRJYANHNIFKRAV-WJAMPBCPSA-N. The full InChI is InChI=1S/C21H28O4/c1-15(2)24-13-21(23)19-11-7-10-18(12-19)16(3)25-14-20(22)17-8-5-4-6-9-17/h4-12,15-16,20-23H,13-14H2,1-3H3/t16?,20-,21?/m0/s1.
What are the key properties of (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol?
(1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol has a molecular weight of 344.45 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[1-[3-(1-hydroxy-2-propan-2-yloxyethyl)phenyl]ethoxy]-1-phenylethanol is sourced from PubChem (CID 155023348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).