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

C15H22O4 — CID 78931750

IUPAC(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCC1CCOCC1
InChIInChI=1S/C15H22O4/c1-11(16)13-3-4-14(15(9-13)17-2)19-10-12-5-7-18-8-6-12/h3-4,9,11-12,16H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyYCXCQGAHFYRTRQ-NSHDSACASA-N
MW266.34 g/mol
LogP2.55
Rot. Bonds5

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

(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol (PubChem CID 78931750) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
PubChem CID78931750
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCC1CCOCC1
InChIInChI=1S/C15H22O4/c1-11(16)13-3-4-14(15(9-13)17-2)19-10-12-5-7-18-8-6-12/h3-4,9,11-12,16H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKeyYCXCQGAHFYRTRQ-NSHDSACASA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
N-cyclopropyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416729
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol (CID 78931750) is (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol is COc1cc([C@H](C)O)ccc1OCC1CCOCC1.
What is the InChIKey of (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol?
The InChIKey is YCXCQGAHFYRTRQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22O4/c1-11(16)13-3-4-14(15(9-13)17-2)19-10-12-5-7-18-8-6-12/h3-4,9,11-12,16H,5-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol?
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 2.55, 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-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78931750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).