[3-methyl-2-(oxan-4-yloxy)phenyl]methanol

C13H18O3 — CID 112612396

IUPAC[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
SMILESCc1cccc(CO)c1OC1CCOCC1
InChIInChI=1S/C13H18O3/c1-10-3-2-4-11(9-14)13(10)16-12-5-7-15-8-6-12/h2-4,12,14H,5-9H2,1H3
InChIKeyQRNIOVAZGNUQPV-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.05
Rot. Bonds3

About [3-methyl-2-(oxan-4-yloxy)phenyl]methanol

[3-methyl-2-(oxan-4-yloxy)phenyl]methanol (PubChem CID 112612396) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-methyl-2-(oxan-4-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
PubChem CID112612396
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[3-methyl-2-(oxan-4-yloxy)phenyl]methanol
SMILESCc1cccc(CO)c1OC1CCOCC1
InChIInChI=1S/C13H18O3/c1-10-3-2-4-11(9-14)13(10)16-12-5-7-15-8-6-12/h2-4,12,14H,5-9H2,1H3
InChIKeyQRNIOVAZGNUQPV-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylcyclohexyl)oxy-3-methylphenyl]methanol
CID 112612421
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
CID 166611345
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
3-methyl-2-(oxolan-3-yloxy)benzoic acid
CID 112689928
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952728
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(oxan-4-yloxy)phenyl]methanol?
The IUPAC name of [3-methyl-2-(oxan-4-yloxy)phenyl]methanol (CID 112612396) is [3-methyl-2-(oxan-4-yloxy)phenyl]methanol.
What is the SMILES notation for [3-methyl-2-(oxan-4-yloxy)phenyl]methanol?
The canonical SMILES for [3-methyl-2-(oxan-4-yloxy)phenyl]methanol is Cc1cccc(CO)c1OC1CCOCC1.
What is the InChIKey of [3-methyl-2-(oxan-4-yloxy)phenyl]methanol?
The InChIKey is QRNIOVAZGNUQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-3-2-4-11(9-14)13(10)16-12-5-7-15-8-6-12/h2-4,12,14H,5-9H2,1H3.
What are the key properties of [3-methyl-2-(oxan-4-yloxy)phenyl]methanol?
[3-methyl-2-(oxan-4-yloxy)phenyl]methanol has a molecular weight of 222.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(oxan-4-yloxy)phenyl]methanol is sourced from PubChem (CID 112612396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).