[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol

C18H28O2 — CID 65160016

IUPAC[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC(C)Cc1ccc(C(O)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C18H28O2/c1-11(2)10-15-6-8-16(9-7-15)18(19)17-12(3)13(4)20-14(17)5/h6-9,11-14,17-19H,10H2,1-5H3
InChIKeyCMCIAVRXSZEBCE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.98
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol

[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 65160016) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID65160016
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC(C)Cc1ccc(C(O)C2C(C)OC(C)C2C)cc1
InChIInChI=1S/C18H28O2/c1-11(2)10-15-6-8-16(9-7-15)18(19)17-12(3)13(4)20-14(17)5/h6-9,11-14,17-19H,10H2,1-5H3
InChIKeyCMCIAVRXSZEBCE-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,4,5-trimethyloxolane
CID 65158343
(4-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115836255
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
2-methyl-3-[4-(2-methylpropyl)phenyl]oxirane
CID 116863433
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160661
3-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-2,4,5-trimethyloxolane
CID 65157819
2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
CID 154190190
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol (CID 65160016) is [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol is CC(C)Cc1ccc(C(O)C2C(C)OC(C)C2C)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is CMCIAVRXSZEBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-11(2)10-15-6-8-16(9-7-15)18(19)17-12(3)13(4)20-14(17)5/h6-9,11-14,17-19H,10H2,1-5H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 276.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 65160016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).