(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol

C27H27O4P — CID 10647028

IUPAC(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@@H](CCOCc1ccccc1)[C@H](O)c1ccco1
InChIInChI=1S/C27H27O4P/c28-27(25-17-10-19-31-25)26(18-20-30-21-22-11-4-1-5-12-22)32(29,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-17,19,26-28H,18,20-21H2/t26-,27+/m0/s1
InChIKeyOUQQTQFKMXXJAB-RRPNLBNLSA-N
MW446.48 g/mol
LogP5.30
Rot. Bonds10

About (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol

(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol (PubChem CID 10647028) has the molecular formula C27H27O4P and a molecular weight of 446.48 g/mol. Its IUPAC name is (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol
PubChem CID10647028
Molecular FormulaC27H27O4P
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC Name(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@@H](CCOCc1ccccc1)[C@H](O)c1ccco1
InChIInChI=1S/C27H27O4P/c28-27(25-17-10-19-31-25)26(18-20-30-21-22-11-4-1-5-12-22)32(29,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-17,19,26-28H,18,20-21H2/t26-,27+/m0/s1
InChIKeyOUQQTQFKMXXJAB-RRPNLBNLSA-N
XLogP5.30
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
CID 111619159
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(1S,2S,4S)-2-diphenylphosphoryl-1,4-diphenyl-4-phenylmethoxybutan-1-ol
CID 10896754
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol?
The IUPAC name of (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol (CID 10647028) is (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol.
What is the SMILES notation for (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol?
The canonical SMILES for (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol is O=P(c1ccccc1)(c1ccccc1)[C@@H](CCOCc1ccccc1)[C@H](O)c1ccco1.
What is the InChIKey of (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol?
The InChIKey is OUQQTQFKMXXJAB-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H27O4P/c28-27(25-17-10-19-31-25)26(18-20-30-21-22-11-4-1-5-12-22)32(29,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-17,19,26-28H,18,20-21H2/t26-,27+/m0/s1.
What are the key properties of (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol?
(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol has a molecular weight of 446.48 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol is sourced from PubChem (CID 10647028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).