(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol

C16H24O4 — CID 82001183

IUPAC(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCCC2CCCO2)c1
InChIInChI=1S/C16H24O4/c1-12(17)15-8-7-14(18-2)11-16(15)20-10-4-6-13-5-3-9-19-13/h7-8,11-13,17H,3-6,9-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyAACMROXHOAQWMU-UEWDXFNNSA-N
MW280.36 g/mol
LogP3.09
Rot. Bonds7

About (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol

(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol (PubChem CID 82001183) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
PubChem CID82001183
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCCC2CCCO2)c1
InChIInChI=1S/C16H24O4/c1-12(17)15-8-7-14(18-2)11-16(15)20-10-4-6-13-5-3-9-19-13/h7-8,11-13,17H,3-6,9-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyAACMROXHOAQWMU-UEWDXFNNSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
1-[4-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 65158556
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
1-(2-bromo-5-methoxyphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 105104739
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol (CID 82001183) is (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol is COc1ccc([C@H](C)O)c(OCCCC2CCCO2)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The InChIKey is AACMROXHOAQWMU-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H24O4/c1-12(17)15-8-7-14(18-2)11-16(15)20-10-4-6-13-5-3-9-19-13/h7-8,11-13,17H,3-6,9-10H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol has a molecular weight of 280.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol is sourced from PubChem (CID 82001183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).