1-(4-chlorophenyl)-2-ethoxypentan-1-ol

C13H19ClO2 — CID 116711364

IUPAC1-(4-chlorophenyl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO2/c1-3-5-12(16-4-2)13(15)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyNPGKSMVBFVNLKP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-chlorophenyl)-2-ethoxypentan-1-ol

1-(4-chlorophenyl)-2-ethoxypentan-1-ol (PubChem CID 116711364) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-ethoxypentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-ethoxypentan-1-ol
PubChem CID116711364
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(4-chlorophenyl)-2-ethoxypentan-1-ol
SMILESCCCC(OCC)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClO2/c1-3-5-12(16-4-2)13(15)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyNPGKSMVBFVNLKP-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
CID 116711399
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-ol
CID 116711321
2-ethoxy-1-(3-methylphenyl)pentan-1-ol
CID 116711307
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypentan-1-ol
CID 116711365
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
CID 116711503
(1S,2S)-2-ethoxy-1-[4-(2-hydroxyethoxy)phenyl]butane-1,4-diol
CID 23976788
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1-(4-chlorophenoxy)butan-1-ol
CID 23332143

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-ethoxypentan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-ethoxypentan-1-ol (CID 116711364) is 1-(4-chlorophenyl)-2-ethoxypentan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-ethoxypentan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-ethoxypentan-1-ol is CCCC(OCC)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-ethoxypentan-1-ol?
The InChIKey is NPGKSMVBFVNLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-3-5-12(16-4-2)13(15)10-6-8-11(14)9-7-10/h6-9,12-13,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-ethoxypentan-1-ol?
1-(4-chlorophenyl)-2-ethoxypentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-ethoxypentan-1-ol is sourced from PubChem (CID 116711364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).