(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone

C18H18O6 — CID 141123586

IUPAC(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)[C@@]1(O)OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H18O6/c19-14-10-24-18(23,17(22)15(14)20)16(21)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15,17,19-20,22-23H,10H2/t14-,15-,17+,18+/m0/s1
InChIKeyIIFIZSOXGWUJNX-CWLKWCNXSA-N
MW330.34 g/mol
LogP0.34
Rot. Bonds3

About (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone

(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone (PubChem CID 141123586) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone.

Molecular Properties

Compound Name(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone
PubChem CID141123586
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Name(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)[C@@]1(O)OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H18O6/c19-14-10-24-18(23,17(22)15(14)20)16(21)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15,17,19-20,22-23H,10H2/t14-,15-,17+,18+/m0/s1
InChIKeyIIFIZSOXGWUJNX-CWLKWCNXSA-N
XLogP0.34
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4R,5S)-2,3,4,5-tetrahydroxyoxane-2-carboxylic acid
CID 10313506
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
CID 89110341
1-azulen-2-ylethanone
CID 15255141
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(4-carboxyphenyl)benzoic acid
CID 11550488
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-phenylphenyl)methanone
CID 171943315

Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone?
The IUPAC name of (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone (CID 141123586) is (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone.
What is the SMILES notation for (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone?
The canonical SMILES for (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone is O=C(c1cccc(-c2ccccc2)c1)[C@@]1(O)OC[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone?
The InChIKey is IIFIZSOXGWUJNX-CWLKWCNXSA-N. The full InChI is InChI=1S/C18H18O6/c19-14-10-24-18(23,17(22)15(14)20)16(21)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15,17,19-20,22-23H,10H2/t14-,15-,17+,18+/m0/s1.
What are the key properties of (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone?
(3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone has a molecular weight of 330.34 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl)-[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methanone is sourced from PubChem (CID 141123586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).