1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol

C14H21ClO2 — CID 116752655

IUPAC1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-4-14(5-2,17-6-3)13(16)11-9-7-8-10-12(11)15/h7-10,13,16H,4-6H2,1-3H3
InChIKeyCRTDAAHDKMYVJZ-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol

1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol (PubChem CID 116752655) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
PubChem CID116752655
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccccc1Cl
InChIInChI=1S/C14H21ClO2/c1-4-14(5-2,17-6-3)13(16)11-9-7-8-10-12(11)15/h7-10,13,16H,4-6H2,1-3H3
InChIKeyCRTDAAHDKMYVJZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-methylbutane-1,2-diol
CID 103448576
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(2,3-dichlorophenyl)-3-ethoxy-3-ethylpentan-2-ol
CID 107308273
1-(2-chlorophenyl)-2-(3-methylpentan-3-ylamino)ethanol
CID 113253717
1-(2-chlorophenyl)-2-ethyl-2-methoxybutan-1-amine
CID 116760606
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941041
3-ethoxy-3-ethyl-1-phenylpentan-2-ol
CID 116752448

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol (CID 116752655) is 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol is CCOC(CC)(CC)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol?
The InChIKey is CRTDAAHDKMYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-4-14(5-2,17-6-3)13(16)11-9-7-8-10-12(11)15/h7-10,13,16H,4-6H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol?
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol is sourced from PubChem (CID 116752655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).