(2,5-dimethylphenoxy)methanol;ethane

C11H18O2 — CID 143103425

IUPAC(2,5-dimethylphenoxy)methanol;ethane
SMILESCC.Cc1ccc(C)c(OCO)c1
InChIInChI=1S/C9H12O2.C2H6/c1-7-3-4-8(2)9(5-7)11-6-10;1-2/h3-5,10H,6H2,1-2H3;1-2H3
InChIKeyKRZKDXXWZBCRLV-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds2

About (2,5-dimethylphenoxy)methanol;ethane

(2,5-dimethylphenoxy)methanol;ethane (PubChem CID 143103425) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2,5-dimethylphenoxy)methanol;ethane.

Molecular Properties

Compound Name(2,5-dimethylphenoxy)methanol;ethane
PubChem CID143103425
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2,5-dimethylphenoxy)methanol;ethane
SMILESCC.Cc1ccc(C)c(OCO)c1
InChIInChI=1S/C9H12O2.C2H6/c1-7-3-4-8(2)9(5-7)11-6-10;1-2/h3-5,10H,6H2,1-2H3;1-2H3
InChIKeyKRZKDXXWZBCRLV-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethylphenoxy)methanamine
CID 89376053
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
2-[6-(2,5-dimethylphenoxy)hexyl-(2-hydroxyethyl)amino]ethanol
CID 118501595
2-(2,5-dimethylphenoxy)ethyl-(2-hydroxyethyl)azanium
CID 2262147
1,4-dimethyl-2-pentoxybenzene
CID 59184214
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenoxy)methanol;ethane?
The IUPAC name of (2,5-dimethylphenoxy)methanol;ethane (CID 143103425) is (2,5-dimethylphenoxy)methanol;ethane.
What is the SMILES notation for (2,5-dimethylphenoxy)methanol;ethane?
The canonical SMILES for (2,5-dimethylphenoxy)methanol;ethane is CC.Cc1ccc(C)c(OCO)c1.
What is the InChIKey of (2,5-dimethylphenoxy)methanol;ethane?
The InChIKey is KRZKDXXWZBCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-7-3-4-8(2)9(5-7)11-6-10;1-2/h3-5,10H,6H2,1-2H3;1-2H3.
What are the key properties of (2,5-dimethylphenoxy)methanol;ethane?
(2,5-dimethylphenoxy)methanol;ethane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenoxy)methanol;ethane is sourced from PubChem (CID 143103425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).