1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol

C14H21ClO2 — CID 114496029

IUPAC1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
SMILESCCc1cc(OCC(C)(O)C(C)C)ccc1Cl
InChIInChI=1S/C14H21ClO2/c1-5-11-8-12(6-7-13(11)15)17-9-14(4,16)10(2)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyLRSNPDBOLQGJPR-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol

1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol (PubChem CID 114496029) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
PubChem CID114496029
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
SMILESCCc1cc(OCC(C)(O)C(C)C)ccc1Cl
InChIInChI=1S/C14H21ClO2/c1-5-11-8-12(6-7-13(11)15)17-9-14(4,16)10(2)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyLRSNPDBOLQGJPR-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
3-(4-chloro-3-ethylphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79627768
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
1-[2-fluoro-4-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 104922117
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol (CID 114496029) is 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol is CCc1cc(OCC(C)(O)C(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol?
The InChIKey is LRSNPDBOLQGJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-5-11-8-12(6-7-13(11)15)17-9-14(4,16)10(2)3/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol?
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol has a molecular weight of 256.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).