(3,4-diethoxyphenyl)-(oxan-4-yl)methanol

C16H24O4 — CID 62905165

IUPAC(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
SMILESCCOc1ccc(C(O)C2CCOCC2)cc1OCC
InChIInChI=1S/C16H24O4/c1-3-19-14-6-5-13(11-15(14)20-4-2)16(17)12-7-9-18-10-8-12/h5-6,11-12,16-17H,3-4,7-10H2,1-2H3
InChIKeyFIWAJQOMUNFNDJ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.94
Rot. Bonds6

About (3,4-diethoxyphenyl)-(oxan-4-yl)methanol

(3,4-diethoxyphenyl)-(oxan-4-yl)methanol (PubChem CID 62905165) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
PubChem CID62905165
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
SMILESCCOc1ccc(C(O)C2CCOCC2)cc1OCC
InChIInChI=1S/C16H24O4/c1-3-19-14-6-5-13(11-15(14)20-4-2)16(17)12-7-9-18-10-8-12/h5-6,11-12,16-17H,3-4,7-10H2,1-2H3
InChIKeyFIWAJQOMUNFNDJ-UHFFFAOYSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
cyclohex-3-en-1-yl-(3,4-diethoxyphenyl)methanol
CID 63900983
[(3,4-diethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229485
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-[(R)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171294229
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(oxan-4-yl)methanol?
The IUPAC name of (3,4-diethoxyphenyl)-(oxan-4-yl)methanol (CID 62905165) is (3,4-diethoxyphenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (3,4-diethoxyphenyl)-(oxan-4-yl)methanol is CCOc1ccc(C(O)C2CCOCC2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(oxan-4-yl)methanol?
The InChIKey is FIWAJQOMUNFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-19-14-6-5-13(11-15(14)20-4-2)16(17)12-7-9-18-10-8-12/h5-6,11-12,16-17H,3-4,7-10H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(oxan-4-yl)methanol?
(3,4-diethoxyphenyl)-(oxan-4-yl)methanol has a molecular weight of 280.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 62905165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).