[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol

C14H20O3 — CID 107135606

IUPAC[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
SMILESCOCc1cccc(C(O)C2CCCOC2)c1
InChIInChI=1S/C14H20O3/c1-16-9-11-4-2-5-12(8-11)14(15)13-6-3-7-17-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3
InChIKeyIHHCISDAWDIPQL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds4

About [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol

[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol (PubChem CID 107135606) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
PubChem CID107135606
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol
SMILESCOCc1cccc(C(O)C2CCCOC2)c1
InChIInChI=1S/C14H20O3/c1-16-9-11-4-2-5-12(8-11)14(15)13-6-3-7-17-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3
InChIKeyIHHCISDAWDIPQL-UHFFFAOYSA-N
XLogP2.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
[3-(difluoromethoxy)-4-methoxyphenyl]-(oxan-3-yl)methanol
CID 107135528
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
oxan-3-yl(quinolin-6-yl)methanol
CID 81215748
oxan-3-yl(quinolin-7-yl)methanol
CID 81216710

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol?
The IUPAC name of [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol (CID 107135606) is [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol?
The canonical SMILES for [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol is COCc1cccc(C(O)C2CCCOC2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol?
The InChIKey is IHHCISDAWDIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-9-11-4-2-5-12(8-11)14(15)13-6-3-7-17-10-13/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3.
What are the key properties of [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol?
[3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-(oxan-3-yl)methanol is sourced from PubChem (CID 107135606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).