(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol

C15H22O4 — CID 63364699

IUPAC(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCC1CCCCO1
InChIInChI=1S/C15H22O4/c1-11(16)12-6-7-14(15(9-12)17-2)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,16H,3-5,8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyKRICXQRYMMHBJC-AMGKYWFPSA-N
MW266.34 g/mol
LogP2.70
Rot. Bonds5

About (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol

(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol (PubChem CID 63364699) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
PubChem CID63364699
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCC1CCCCO1
InChIInChI=1S/C15H22O4/c1-11(16)12-6-7-14(15(9-12)17-2)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,16H,3-5,8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyKRICXQRYMMHBJC-AMGKYWFPSA-N
XLogP2.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-chloro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 113389965
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184510
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol (CID 63364699) is (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol is COc1cc([C@H](C)O)ccc1OCC1CCCCO1.
What is the InChIKey of (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is KRICXQRYMMHBJC-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(16)12-6-7-14(15(9-12)17-2)19-10-13-5-3-4-8-18-13/h6-7,9,11,13,16H,3-5,8,10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol?
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 63364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).