2-(3-chlorophenyl)-4-ethyloctan-1-ol

C16H25ClO — CID 79442705

IUPAC2-(3-chlorophenyl)-4-ethyloctan-1-ol
SMILESCCCCC(CC)CC(CO)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClO/c1-3-5-7-13(4-2)10-15(12-18)14-8-6-9-16(17)11-14/h6,8-9,11,13,15,18H,3-5,7,10,12H2,1-2H3
InChIKeyCZYQOZHELJPDSN-UHFFFAOYSA-N
MW268.83 g/mol
LogP5.02
Rot. Bonds8

About 2-(3-chlorophenyl)-4-ethyloctan-1-ol

2-(3-chlorophenyl)-4-ethyloctan-1-ol (PubChem CID 79442705) has the molecular formula C16H25ClO and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethyloctan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethyloctan-1-ol
PubChem CID79442705
Molecular FormulaC16H25ClO
Molecular Weight268.83 g/mol
Exact Mass268.16
IUPAC Name2-(3-chlorophenyl)-4-ethyloctan-1-ol
SMILESCCCCC(CC)CC(CO)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClO/c1-3-5-7-13(4-2)10-15(12-18)14-8-6-9-16(17)11-14/h6,8-9,11,13,15,18H,3-5,7,10,12H2,1-2H3
InChIKeyCZYQOZHELJPDSN-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
CID 79431985
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
5-ethyl-3-phenylnonan-1-ol
CID 145204155
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79441273
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethyloctan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-ethyloctan-1-ol (CID 79442705) is 2-(3-chlorophenyl)-4-ethyloctan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethyloctan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethyloctan-1-ol is CCCCC(CC)CC(CO)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethyloctan-1-ol?
The InChIKey is CZYQOZHELJPDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO/c1-3-5-7-13(4-2)10-15(12-18)14-8-6-9-16(17)11-14/h6,8-9,11,13,15,18H,3-5,7,10,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethyloctan-1-ol?
2-(3-chlorophenyl)-4-ethyloctan-1-ol has a molecular weight of 268.83 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-ethyloctan-1-ol is sourced from PubChem (CID 79442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).