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

C16H24O4 — CID 65162787

IUPAC(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCCC1CCCO1
InChIInChI=1S/C16H24O4/c1-12(17)13-7-8-15(16(11-13)18-2)20-10-4-6-14-5-3-9-19-14/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3/t12-,14?/m1/s1
InChIKeyXKRBYJYCSAHRTM-PUODRLBUSA-N
MW280.36 g/mol
LogP3.09
Rot. Bonds7

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

(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol (PubChem CID 65162787) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
PubChem CID65162787
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCCC1CCCO1
InChIInChI=1S/C16H24O4/c1-12(17)13-7-8-15(16(11-13)18-2)20-10-4-6-14-5-3-9-19-14/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3/t12-,14?/m1/s1
InChIKeyXKRBYJYCSAHRTM-PUODRLBUSA-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

(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
(1S)-1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 82001183
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
3-methoxy-4-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 65160952
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol (CID 65162787) is (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol is COc1cc([C@@H](C)O)ccc1OCCCC1CCCO1.
What is the InChIKey of (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
The InChIKey is XKRBYJYCSAHRTM-PUODRLBUSA-N. The full InChI is InChI=1S/C16H24O4/c1-12(17)13-7-8-15(16(11-13)18-2)20-10-4-6-14-5-3-9-19-14/h7-8,11-12,14,17H,3-6,9-10H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol?
(1R)-1-[3-methoxy-4-[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 (1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol is sourced from PubChem (CID 65162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).