(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol

C14H20O4 — CID 62215348

IUPAC(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCCCO2)cc1OC
InChIInChI=1S/C14H20O4/c1-16-11-7-6-10(9-13(11)17-2)14(15)12-5-3-4-8-18-12/h6-7,9,12,14-15H,3-5,8H2,1-2H3
InChIKeyFNQSRJQUIYEFDX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol

(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol (PubChem CID 62215348) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
PubChem CID62215348
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCCCO2)cc1OC
InChIInChI=1S/C14H20O4/c1-16-11-7-6-10(9-13(11)17-2)14(15)12-5-3-4-8-18-12/h6-7,9,12,14-15H,3-5,8H2,1-2H3
InChIKeyFNQSRJQUIYEFDX-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

1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
(5-methoxy-3-pyridinyl)-(oxan-2-yl)methanol
CID 115828914
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
2-[chloro-(4-methoxy-3-methylphenyl)methyl]oxane
CID 62215181
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
(2-amino-3-methoxyphenyl)-(oxan-2-yl)methanol
CID 105499069
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307
1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol
CID 13252940
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213913
2-(3,4-dimethoxyphenyl)-3-(oxan-2-yl)-3-oxopropanenitrile
CID 62214068

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol (CID 62215348) is (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol is COc1ccc(C(O)C2CCCCO2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol?
The InChIKey is FNQSRJQUIYEFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-11-7-6-10(9-13(11)17-2)14(15)12-5-3-4-8-18-12/h6-7,9,12,14-15H,3-5,8H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol?
(3,4-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 (3,4-dimethoxyphenyl)-(oxan-2-yl)methanol is sourced from PubChem (CID 62215348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).