3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol

C15H24O3 — CID 104930653

IUPAC3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-9-11(3)7-8-13(14)12(4)16/h7-9,12,16-17H,5-6,10H2,1-4H3/t12-/m0/s1
InChIKeyCRBFGXGSFJSHLR-LBPRGKRZSA-N
MW252.35 g/mol
LogP2.98
Rot. Bonds6

About 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol

3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol (PubChem CID 104930653) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
PubChem CID104930653
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-9-11(3)7-8-13(14)12(4)16/h7-9,12,16-17H,5-6,10H2,1-4H3/t12-/m0/s1
InChIKeyCRBFGXGSFJSHLR-LBPRGKRZSA-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

Analyze 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
CID 114494496
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
(1S)-1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylphenyl]ethanol
CID 106438849

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol (CID 104930653) is 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1cc(C)ccc1[C@H](C)O.
What is the InChIKey of 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol?
The InChIKey is CRBFGXGSFJSHLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-15(17,6-2)10-18-14-9-11(3)7-8-13(14)12(4)16/h7-9,12,16-17H,5-6,10H2,1-4H3/t12-/m0/s1.
What are the key properties of 3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol?
3-[[2-[(1S)-1-hydroxyethyl]-5-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-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 104930653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).