3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol

C15H24O3 — CID 114494496

IUPAC3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(C(C)O)cc1C
InChIInChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-8-7-13(12(4)16)9-11(14)3/h7-9,12,16-17H,5-6,10H2,1-4H3
InChIKeyKDDFUCNSKDPDOO-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds6

About 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol

3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol (PubChem CID 114494496) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
PubChem CID114494496
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(C(C)O)cc1C
InChIInChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-8-7-13(12(4)16)9-11(14)3/h7-9,12,16-17H,5-6,10H2,1-4H3
InChIKeyKDDFUCNSKDPDOO-UHFFFAOYSA-N
XLogP2.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-methylphenoxy)methyl]pentan-3-ol
CID 115919506
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 70906490
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
CID 104930653
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
2-[[4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
CID 155566184
2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol
CID 167230940
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
ethyl 2-[4-[(1S)-1-hydroxyethyl]-2-methylphenoxy]propanoate
CID 113387042
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol (CID 114494496) is 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1ccc(C(C)O)cc1C.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol?
The InChIKey is KDDFUCNSKDPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-8-7-13(12(4)16)9-11(14)3/h7-9,12,16-17H,5-6,10H2,1-4H3.
What are the key properties of 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol?
3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol has a molecular weight of 252.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114494496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).