(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol

C14H22O4 — CID 24938597

IUPAC(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
SMILESCOc1ccc(CO[C@@H](C)CC[C@@H](O)CO)cc1
InChIInChI=1S/C14H22O4/c1-11(3-6-13(16)9-15)18-10-12-4-7-14(17-2)8-5-12/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyMEPBWUZHIRONMC-WCQYABFASA-N
MW254.33 g/mol
LogP1.73
Rot. Bonds8

About (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol

(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol (PubChem CID 24938597) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol.

Molecular Properties

Compound Name(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
PubChem CID24938597
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
SMILESCOc1ccc(CO[C@@H](C)CC[C@@H](O)CO)cc1
InChIInChI=1S/C14H22O4/c1-11(3-6-13(16)9-15)18-10-12-4-7-14(17-2)8-5-12/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyMEPBWUZHIRONMC-WCQYABFASA-N
XLogP1.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
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CID 44629947
1-(heptan-2-yloxymethyl)-4-methoxybenzene
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2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
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1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
CID 123645301
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(2R,3R)-2-[(4-methoxyphenyl)methoxy]-7-methyloct-6-ene-1,3-diol
CID 71425675
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
[(2R,3R)-3-[(2R)-2-[(4-methoxyphenyl)methoxy]propyl]oxiran-2-yl]methanol
CID 24756271

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol?
The IUPAC name of (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol (CID 24938597) is (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol.
What is the SMILES notation for (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol?
The canonical SMILES for (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol is COc1ccc(CO[C@@H](C)CC[C@@H](O)CO)cc1.
What is the InChIKey of (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol?
The InChIKey is MEPBWUZHIRONMC-WCQYABFASA-N. The full InChI is InChI=1S/C14H22O4/c1-11(3-6-13(16)9-15)18-10-12-4-7-14(17-2)8-5-12/h4-5,7-8,11,13,15-16H,3,6,9-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol?
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol has a molecular weight of 254.33 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol is sourced from PubChem (CID 24938597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).