2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol

C17H27ClO — CID 66059498

IUPAC2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
SMILESCCCCC(CC)CC(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C17H27ClO/c1-3-5-7-14(4-2)10-16(13-19)11-15-8-6-9-17(18)12-15/h6,8-9,12,14,16,19H,3-5,7,10-11,13H2,1-2H3
InChIKeyZIDDFCOPEACKLW-UHFFFAOYSA-N
MW282.85 g/mol
LogP5.10
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol

2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol (PubChem CID 66059498) has the molecular formula C17H27ClO and a molecular weight of 282.85 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
PubChem CID66059498
Molecular FormulaC17H27ClO
Molecular Weight282.85 g/mol
Exact Mass282.18
IUPAC Name2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
SMILESCCCCC(CC)CC(CO)Cc1cccc(Cl)c1
InChIInChI=1S/C17H27ClO/c1-3-5-7-14(4-2)10-16(13-19)11-15-8-6-9-17(18)12-15/h6,8-9,12,14,16,19H,3-5,7,10-11,13H2,1-2H3
InChIKeyZIDDFCOPEACKLW-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.85
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
2-(3-chlorophenyl)-4-ethyloctan-1-ol
CID 79442705
(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
CID 172914223
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-(3-chlorophenyl)-3-ethylheptan-2-ol
CID 63517929
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
CID 79431985
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol (CID 66059498) is 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol is CCCCC(CC)CC(CO)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol?
The InChIKey is ZIDDFCOPEACKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO/c1-3-5-7-14(4-2)10-16(13-19)11-15-8-6-9-17(18)12-15/h6,8-9,12,14,16,19H,3-5,7,10-11,13H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol?
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol has a molecular weight of 282.85 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol is sourced from PubChem (CID 66059498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).