(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol

C19H22O4 — CID 155559648

IUPAC(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol
SMILESCOC1(C)OOC(c2ccccc2)(c2ccccc2)CC1CO
InChIInChI=1S/C19H22O4/c1-18(21-2)17(14-20)13-19(23-22-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,13-14H2,1-2H3
InChIKeyHRSWTXVREYRKBC-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.25
Rot. Bonds4

About (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol

(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol (PubChem CID 155559648) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol
PubChem CID155559648
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol
SMILESCOC1(C)OOC(c2ccccc2)(c2ccccc2)CC1CO
InChIInChI=1S/C19H22O4/c1-18(21-2)17(14-20)13-19(23-22-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,13-14H2,1-2H3
InChIKeyHRSWTXVREYRKBC-UHFFFAOYSA-N
XLogP3.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diphenylbutane-1,4-diol
CID 96679
1,3-Diphenylbutan-1-ol
CID 246552
3,6-Bis(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
CID 25256859
3-(4-Methylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
CID 25256863
3-(4-Ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
CID 45267297
3-(4-Propan-2-ylphenyl)-6-(4-propylphenyl)-1,2,4,5-tetraoxane
CID 45270723
1,4-Diphenyl-1,4-butanediol
CID 290779
[4-[6-(o-Tolyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
CID 53328127
[4-[6-(4-Ethylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
CID 53328128
[4-[6-(4-Isopropylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methanol
CID 53328129
3-(Trityloxy)-1-propanol
CID 371701
4-Trityloxybutan-1-ol
CID 371702

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol?
The IUPAC name of (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol (CID 155559648) is (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol.
What is the SMILES notation for (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol?
The canonical SMILES for (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol is COC1(C)OOC(c2ccccc2)(c2ccccc2)CC1CO.
What is the InChIKey of (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol?
The InChIKey is HRSWTXVREYRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-18(21-2)17(14-20)13-19(23-22-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,13-14H2,1-2H3.
What are the key properties of (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol?
(3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol has a molecular weight of 314.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol is sourced from PubChem (CID 155559648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).