(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol

C14H20O4 — CID 115821693

IUPAC(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1cc(OC)cc(C(O)C2CCCCO2)c1
InChIInChI=1S/C14H20O4/c1-16-11-7-10(8-12(9-11)17-2)14(15)13-5-3-4-6-18-13/h7-9,13-15H,3-6H2,1-2H3
InChIKeyLUTKAOLKSHGOPO-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol

(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol (PubChem CID 115821693) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
PubChem CID115821693
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1cc(OC)cc(C(O)C2CCCCO2)c1
InChIInChI=1S/C14H20O4/c1-16-11-7-10(8-12(9-11)17-2)14(15)13-5-3-4-6-18-13/h7-9,13-15H,3-6H2,1-2H3
InChIKeyLUTKAOLKSHGOPO-UHFFFAOYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
(2,6-difluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 55048187
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
furan-3-yl(oxan-2-yl)methanol
CID 115797283
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
CID 105499069
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol (CID 115821693) is (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol is COc1cc(OC)cc(C(O)C2CCCCO2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol?
The InChIKey is LUTKAOLKSHGOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-11-7-10(8-12(9-11)17-2)14(15)13-5-3-4-6-18-13/h7-9,13-15H,3-6H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol?
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol has a molecular weight of 252.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 115821693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).