(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol

C16H24O2 — CID 80685466

IUPAC(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)C2(C)CCCCO2)cc1
InChIInChI=1S/C16H24O2/c1-12(2)13-6-8-14(9-7-13)15(17)16(3)10-4-5-11-18-16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyRMLNVMJSEYOQEX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.80
Rot. Bonds3

About (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol

(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 80685466) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID80685466
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)C2(C)CCCCO2)cc1
InChIInChI=1S/C16H24O2/c1-12(2)13-6-8-14(9-7-13)15(17)16(3)10-4-5-11-18-16/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyRMLNVMJSEYOQEX-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyloxan-2-yl)-thiophen-3-ylmethanol
CID 80685803
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
1-[hydroxy-(4-propan-2-ylphenyl)methyl]cycloheptane-1-carbonitrile
CID 79136509
(2-methyloxan-2-yl)-quinolin-3-ylmethanol
CID 80684863
(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
CID 82822613
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80685016
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
CID 139349129
(2R)-2-methyl-2-propan-2-yloxolane
CID 59911363
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol (CID 80685466) is (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)C2(C)CCCCO2)cc1.
What is the InChIKey of (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is RMLNVMJSEYOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)13-6-8-14(9-7-13)15(17)16(3)10-4-5-11-18-16/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol?
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 80685466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).