4-(3-hydroxyheptyl)-2-methoxyphenol

C14H22O3 — CID 142945422

IUPAC4-(3-hydroxyheptyl)-2-methoxyphenol
SMILESCCCCC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O3/c1-3-4-5-12(15)8-6-11-7-9-13(16)14(10-11)17-2/h7,9-10,12,15-16H,3-6,8H2,1-2H3
InChIKeySQOJAQPMEIIQBK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.88
Rot. Bonds7

About 4-(3-hydroxyheptyl)-2-methoxyphenol

4-(3-hydroxyheptyl)-2-methoxyphenol (PubChem CID 142945422) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(3-hydroxyheptyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-hydroxyheptyl)-2-methoxyphenol
PubChem CID142945422
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(3-hydroxyheptyl)-2-methoxyphenol
SMILESCCCCC(O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O3/c1-3-4-5-12(15)8-6-11-7-9-13(16)14(10-11)17-2/h7,9-10,12,15-16H,3-6,8H2,1-2H3
InChIKeySQOJAQPMEIIQBK-UHFFFAOYSA-N
XLogP2.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
(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
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
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
ethane;2-methoxy-4-propylphenol
CID 144852330
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
(6R)-6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
CID 162944026
4-[(5R)-5-hydroxy-3-pyrrolidin-1-yldodecyl]-2-methoxyphenol
CID 71103181
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyheptyl)-2-methoxyphenol?
The IUPAC name of 4-(3-hydroxyheptyl)-2-methoxyphenol (CID 142945422) is 4-(3-hydroxyheptyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-hydroxyheptyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-hydroxyheptyl)-2-methoxyphenol is CCCCC(O)CCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(3-hydroxyheptyl)-2-methoxyphenol?
The InChIKey is SQOJAQPMEIIQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-12(15)8-6-11-7-9-13(16)14(10-11)17-2/h7,9-10,12,15-16H,3-6,8H2,1-2H3.
What are the key properties of 4-(3-hydroxyheptyl)-2-methoxyphenol?
4-(3-hydroxyheptyl)-2-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyheptyl)-2-methoxyphenol is sourced from PubChem (CID 142945422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).