[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol

C17H18O5 — CID 53328128

IUPAC[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCCc1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1
InChIInChI=1S/C17H18O5/c1-2-12-3-7-14(8-4-12)16-19-21-17(22-20-16)15-9-5-13(11-18)6-10-15/h3-10,16-18H,2,11H2,1H3
InChIKeyLSHUCLRHYIPMEU-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.35
Rot. Bonds4

About [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol

[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (PubChem CID 53328128) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
PubChem CID53328128
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
SMILESCCc1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1
InChIInChI=1S/C17H18O5/c1-2-12-3-7-14(8-4-12)16-19-21-17(22-20-16)15-9-5-13(11-18)6-10-15/h3-10,16-18H,2,11H2,1H3
InChIKeyLSHUCLRHYIPMEU-UHFFFAOYSA-N
XLogP3.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1,1'-Biphenyl)-4-methanol
CID 19186
4-Methylbenzhydrol
CID 95377
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512
4-Ethylbenzyl alcohol
CID 13034
1,1-Diphenylbutane-1,4-diol
CID 96679
(4-Propylphenyl)methanol
CID 2760472
4,4'-Dimethylbenzhydrol
CID 279356
4-(Phenylmethyl)benzenemethanol
CID 597614
4,4'-Bis(hydroxymethyl)biphenyl
CID 611786
trans-4-Stilbenemethanol
CID 5803359
(1S)-1-(4-phenylphenyl)ethan-1-ol
CID 7000105
1-(4-Cyclohexylphenyl)ethanol
CID 12631458

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol (CID 53328128) is [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is CCc1ccc(C2OOC(c3ccc(CO)cc3)OO2)cc1.
What is the InChIKey of [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
The InChIKey is LSHUCLRHYIPMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-12-3-7-14(8-4-12)16-19-21-17(22-20-16)15-9-5-13(11-18)6-10-15/h3-10,16-18H,2,11H2,1H3.
What are the key properties of [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol?
[4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol has a molecular weight of 302.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol is sourced from PubChem (CID 53328128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).