(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

C19H30O2 — CID 65160661

IUPAC(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCc1c(C)c(C)c(C(O)C2C(C)OC(C)C2C)c(C)c1C
InChIInChI=1S/C19H30O2/c1-9-10(2)12(4)17(13(5)11(9)3)19(20)18-14(6)15(7)21-16(18)8/h14-16,18-20H,1-8H3
InChIKeyCYWGGYPLSDZTPT-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.32
Rot. Bonds2

About (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 65160661) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID65160661
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCc1c(C)c(C)c(C(O)C2C(C)OC(C)C2C)c(C)c1C
InChIInChI=1S/C19H30O2/c1-9-10(2)12(4)17(13(5)11(9)3)19(20)18-14(6)15(7)21-16(18)8/h14-16,18-20H,1-8H3
InChIKeyCYWGGYPLSDZTPT-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160020
(5-methyloxolan-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81330190
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157693
naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160016
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-ol
CID 115817336
(4-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115836255
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol
CID 115823360
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106786585

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 65160661) is (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is Cc1c(C)c(C)c(C(O)C2C(C)OC(C)C2C)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is CYWGGYPLSDZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-9-10(2)12(4)17(13(5)11(9)3)19(20)18-14(6)15(7)21-16(18)8/h14-16,18-20H,1-8H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 290.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 65160661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).