2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol

C16H24O2 — CID 66057601

IUPAC2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
SMILESCc1cccc(CC(CO)CC2CCOCC2)c1
InChIInChI=1S/C16H24O2/c1-13-3-2-4-15(9-13)11-16(12-17)10-14-5-7-18-8-6-14/h2-4,9,14,16-17H,5-8,10-12H2,1H3
InChIKeyXFVYZVJZVRNTEN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds5

About 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol

2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol (PubChem CID 66057601) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
PubChem CID66057601
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol
SMILESCc1cccc(CC(CO)CC2CCOCC2)c1
InChIInChI=1S/C16H24O2/c1-13-3-2-4-15(9-13)11-16(12-17)10-14-5-7-18-8-6-14/h2-4,9,14,16-17H,5-8,10-12H2,1H3
InChIKeyXFVYZVJZVRNTEN-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
4-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]oxane
CID 66048148
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
4-[2-(bromomethyl)-3-(4-methylphenyl)propyl]oxane
CID 66041474
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol (CID 66057601) is 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol is Cc1cccc(CC(CO)CC2CCOCC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol?
The InChIKey is XFVYZVJZVRNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-13-3-2-4-15(9-13)11-16(12-17)10-14-5-7-18-8-6-14/h2-4,9,14,16-17H,5-8,10-12H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol?
2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 66057601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).