[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone

C18H18O4 — CID 135021118

IUPAC[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C18H18O4/c19-11-17-15(20)10-16(22-17)12-6-8-14(9-7-12)18(21)13-4-2-1-3-5-13/h1-9,15-17,19-20H,10-11H2/t15-,16-,17-/m1/s1
InChIKeyWDMVKDDQSCDYIQ-BRWVUGGUSA-N
MW298.34 g/mol
LogP2.10
Rot. Bonds4

About [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone

[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone (PubChem CID 135021118) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
PubChem CID135021118
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C18H18O4/c19-11-17-15(20)10-16(22-17)12-6-8-14(9-7-12)18(21)13-4-2-1-3-5-13/h1-9,15-17,19-20H,10-11H2/t15-,16-,17-/m1/s1
InChIKeyWDMVKDDQSCDYIQ-BRWVUGGUSA-N
XLogP2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone with MolForge

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Related Compounds

(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
CID 11702098
(2R)-5-chrysen-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919947
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59119117
(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961
phenyl-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 102410375
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone (CID 135021118) is [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1.
What is the InChIKey of [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone?
The InChIKey is WDMVKDDQSCDYIQ-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H18O4/c19-11-17-15(20)10-16(22-17)12-6-8-14(9-7-12)18(21)13-4-2-1-3-5-13/h1-9,15-17,19-20H,10-11H2/t15-,16-,17-/m1/s1.
What are the key properties of [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone?
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone has a molecular weight of 298.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 135021118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).