1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol

C15H24O3 — CID 114265286

IUPAC1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
SMILESCc1ccc(C(C)O)c(OCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H24O3/c1-10-6-7-12(11(2)16)13(8-10)18-9-14(17)15(3,4)5/h6-8,11,14,16-17H,9H2,1-5H3
InChIKeyYETUGCJMMBMPGI-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol

1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol (PubChem CID 114265286) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
PubChem CID114265286
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
SMILESCc1ccc(C(C)O)c(OCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H24O3/c1-10-6-7-12(11(2)16)13(8-10)18-9-14(17)15(3,4)5/h6-8,11,14,16-17H,9H2,1-5H3
InChIKeyYETUGCJMMBMPGI-UHFFFAOYSA-N
XLogP2.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
CID 79356014
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
CID 104930653
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
1-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-3-methylbutan-2-ol
CID 114249423
(1R)-1-[2-(3-chloroprop-2-enoxy)-4-methylphenyl]ethanol
CID 78947134
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol (CID 114265286) is 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol is Cc1ccc(C(C)O)c(OCC(O)C(C)(C)C)c1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol?
The InChIKey is YETUGCJMMBMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-6-7-12(11(2)16)13(8-10)18-9-14(17)15(3,4)5/h6-8,11,14,16-17H,9H2,1-5H3.
What are the key properties of 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol?
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 114265286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).