1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol

C17H26O3 — CID 63953787

IUPAC1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCCO1
InChIInChI=1S/C17H26O3/c1-3-19-17-10-7-13(2)12-15(17)16(18)9-8-14-6-4-5-11-20-14/h7,10,12,14,16,18H,3-6,8-9,11H2,1-2H3
InChIKeyCRSKSXVSYJYQHD-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.78
Rot. Bonds6

About 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol

1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 63953787) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
PubChem CID63953787
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)CCC1CCCCO1
InChIInChI=1S/C17H26O3/c1-3-19-17-10-7-13(2)12-15(17)16(18)9-8-14-6-4-5-11-20-14/h7,10,12,14,16,18H,3-6,8-9,11H2,1-2H3
InChIKeyCRSKSXVSYJYQHD-UHFFFAOYSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]oxane
CID 55057373
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(2,3-difluoro-4-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 107516246
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 65157940
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol (CID 63953787) is 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol is CCOc1ccc(C)cc1C(O)CCC1CCCCO1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is CRSKSXVSYJYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-19-17-10-7-13(2)12-15(17)16(18)9-8-14-6-4-5-11-20-14/h7,10,12,14,16,18H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol?
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 63953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).