4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol

C14H22O3 — CID 116861564

IUPAC4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
SMILESCCc1ccc(OC)c(C(C)(O)CCCO)c1
InChIInChI=1S/C14H22O3/c1-4-11-6-7-13(17-3)12(10-11)14(2,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3
InChIKeyOSWNIXKRGJEHBO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.24
Rot. Bonds6

About 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol

4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol (PubChem CID 116861564) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
PubChem CID116861564
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
SMILESCCc1ccc(OC)c(C(C)(O)CCCO)c1
InChIInChI=1S/C14H22O3/c1-4-11-6-7-13(17-3)12(10-11)14(2,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3
InChIKeyOSWNIXKRGJEHBO-UHFFFAOYSA-N
XLogP2.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
CID 116841028
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
N-ethyl-2-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-amine
CID 112518134
4-(2,4,5-trimethylphenyl)pentane-1,4-diol
CID 116861582
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117300505
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol (CID 116861564) is 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol is CCc1ccc(OC)c(C(C)(O)CCCO)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol?
The InChIKey is OSWNIXKRGJEHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-11-6-7-13(17-3)12(10-11)14(2,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol?
4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol has a molecular weight of 238.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol is sourced from PubChem (CID 116861564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).