[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol

C22H22O2 — CID 131851997

IUPAC[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol
SMILESC[C@@H](OC(c1ccccc1)c1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-17(19-10-4-2-5-11-19)24-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-23/h2-15,17,22-23H,16H2,1H3/t17-,22?/m1/s1
InChIKeyOLJLOPXYKAQGTQ-PLEWWHCXSA-N
MW318.42 g/mol
LogP5.05
Rot. Bonds6

About [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol

[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol (PubChem CID 131851997) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol
PubChem CID131851997
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol
SMILESC[C@@H](OC(c1ccccc1)c1cccc(CO)c1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-17(19-10-4-2-5-11-19)24-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-23/h2-15,17,22-23H,16H2,1H3/t17-,22?/m1/s1
InChIKeyOLJLOPXYKAQGTQ-PLEWWHCXSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol?
The IUPAC name of [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol (CID 131851997) is [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol.
What is the SMILES notation for [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol?
The canonical SMILES for [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol is C[C@@H](OC(c1ccccc1)c1cccc(CO)c1)c1ccccc1.
What is the InChIKey of [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol?
The InChIKey is OLJLOPXYKAQGTQ-PLEWWHCXSA-N. The full InChI is InChI=1S/C22H22O2/c1-17(19-10-4-2-5-11-19)24-22(20-12-6-3-7-13-20)21-14-8-9-18(15-21)16-23/h2-15,17,22-23H,16H2,1H3/t17-,22?/m1/s1.
What are the key properties of [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol?
[3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol has a molecular weight of 318.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[phenyl-[(1R)-1-phenylethoxy]methyl]phenyl]methanol is sourced from PubChem (CID 131851997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).