(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol

C15H22O3 — CID 123637937

IUPAC(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol
SMILESCC1COC(COC(O)c2ccccc2)C(C)C1
InChIInChI=1S/C15H22O3/c1-11-8-12(2)14(17-9-11)10-18-15(16)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3
InChIKeyFLVAIPKINGBIBJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds4

About (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol

(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol (PubChem CID 123637937) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol.

Molecular Properties

Compound Name(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol
PubChem CID123637937
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol
SMILESCC1COC(COC(O)c2ccccc2)C(C)C1
InChIInChI=1S/C15H22O3/c1-11-8-12(2)14(17-9-11)10-18-15(16)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3
InChIKeyFLVAIPKINGBIBJ-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol?
The IUPAC name of (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol (CID 123637937) is (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol.
What is the SMILES notation for (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol?
The canonical SMILES for (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol is CC1COC(COC(O)c2ccccc2)C(C)C1.
What is the InChIKey of (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol?
The InChIKey is FLVAIPKINGBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11-8-12(2)14(17-9-11)10-18-15(16)13-6-4-3-5-7-13/h3-7,11-12,14-16H,8-10H2,1-2H3.
What are the key properties of (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol?
(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol has a molecular weight of 250.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyloxan-2-yl)methoxy-phenylmethanol is sourced from PubChem (CID 123637937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).