4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol

C14H22O3 — CID 116861567

IUPAC4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol
SMILESCCOc1ccc(C(C)(O)CCCO)cc1C
InChIInChI=1S/C14H22O3/c1-4-17-13-7-6-12(10-11(13)2)14(3,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3
InChIKeyBUSMRLIZRBLEJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.37
Rot. Bonds6

About 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol

4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol (PubChem CID 116861567) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol.

Molecular Properties

Compound Name4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol
PubChem CID116861567
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol
SMILESCCOc1ccc(C(C)(O)CCCO)cc1C
InChIInChI=1S/C14H22O3/c1-4-17-13-7-6-12(10-11(13)2)14(3,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3
InChIKeyBUSMRLIZRBLEJX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-diethoxyphenyl)heptan-2-ol
CID 80557836
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
3-(4-ethoxy-3-methylphenyl)sulfonylpropan-1-ol
CID 116853206
4-(4-ethoxy-3-methylphenyl)-4,4-difluorobutanoic acid
CID 116838445
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
3-[4-[[4-(3-hydroxypropoxy)-3-methylphenyl]-diphenylmethyl]-2-methylphenoxy]propan-1-ol
CID 139641149

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol?
The IUPAC name of 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol (CID 116861567) is 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol.
What is the SMILES notation for 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol?
The canonical SMILES for 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol is CCOc1ccc(C(C)(O)CCCO)cc1C.
What is the InChIKey of 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol?
The InChIKey is BUSMRLIZRBLEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-17-13-7-6-12(10-11(13)2)14(3,16)8-5-9-15/h6-7,10,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol?
4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol has a molecular weight of 238.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol is sourced from PubChem (CID 116861567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).