[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol

C15H22O4 — CID 66060087

IUPAC[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
SMILESCOc1ccc(OCCC2(CO)CCCOC2)cc1
InChIInChI=1S/C15H22O4/c1-17-13-3-5-14(6-4-13)19-10-8-15(11-16)7-2-9-18-12-15/h3-6,16H,2,7-12H2,1H3
InChIKeyGVYYKOMCECNZKP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.25
Rot. Bonds6

About [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol

[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol (PubChem CID 66060087) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
PubChem CID66060087
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
SMILESCOc1ccc(OCCC2(CO)CCCOC2)cc1
InChIInChI=1S/C15H22O4/c1-17-13-3-5-14(6-4-13)19-10-8-15(11-16)7-2-9-18-12-15/h3-6,16H,2,7-12H2,1H3
InChIKeyGVYYKOMCECNZKP-UHFFFAOYSA-N
XLogP2.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(2-phenoxyethyl)oxan-3-yl]methanamine
CID 55151607
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
(3-octyloxan-3-yl)methanol
CID 66058603
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
3-[2-(4-methoxyphenyl)ethyl]oxane-3-carboxylic acid
CID 103719445
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
CID 65445668
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol?
The IUPAC name of [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol (CID 66060087) is [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol is COc1ccc(OCCC2(CO)CCCOC2)cc1.
What is the InChIKey of [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol?
The InChIKey is GVYYKOMCECNZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-13-3-5-14(6-4-13)19-10-8-15(11-16)7-2-9-18-12-15/h3-6,16H,2,7-12H2,1H3.
What are the key properties of [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol?
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol is sourced from PubChem (CID 66060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).