ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol

C19H34O4 — CID 156738617

IUPACethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
SMILESCC.CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H28O4.C2H6/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2;1-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3;1-2H3
InChIKeyMVQQJGJZRDBOCR-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.05
Rot. Bonds10

About ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol

ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol (PubChem CID 156738617) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol.

Molecular Properties

Compound Nameethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
PubChem CID156738617
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Nameethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
SMILESCC.CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C17H28O4.C2H6/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2;1-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3;1-2H3
InChIKeyMVQQJGJZRDBOCR-UHFFFAOYSA-N
XLogP4.05
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl]oxidanium
CID 143193328
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
CID 71103181
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
CID 137432163
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723
ethane;2-methoxy-4-propylphenol
CID 144852330
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
CID 154712075
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,7R)-1-(3,4-dihydroxyphenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)dodecan-5-one
CID 162837226
5-[3,5-dihydroxy-7-(4-hydroxy-3-methylphenyl)heptyl]-3-methoxybenzene-1,2-diol
CID 150070360

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol?
The IUPAC name of ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol (CID 156738617) is ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol.
What is the SMILES notation for ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol?
The canonical SMILES for ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol is CC.CCCCCC(O)CC(O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol?
The InChIKey is MVQQJGJZRDBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4.C2H6/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2;1-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol?
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol has a molecular weight of 326.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol is sourced from PubChem (CID 156738617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).