1-(3-chlorophenyl)-3-ethylheptan-2-ol

C15H23ClO — CID 63517929

IUPAC1-(3-chlorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3
InChIKeyIHNFOWDMXIORBD-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.46
Rot. Bonds7

About 1-(3-chlorophenyl)-3-ethylheptan-2-ol

1-(3-chlorophenyl)-3-ethylheptan-2-ol (PubChem CID 63517929) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethylheptan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethylheptan-2-ol
PubChem CID63517929
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name1-(3-chlorophenyl)-3-ethylheptan-2-ol
SMILESCCCCC(CC)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3
InChIKeyIHNFOWDMXIORBD-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524
1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
1-(3-chlorophenyl)-3-methylhexan-2-ol
CID 63017925
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-chloro-3-(3-chloro-2-ethylbutyl)benzene
CID 63460008
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethylheptan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-ethylheptan-2-ol (CID 63517929) is 1-(3-chlorophenyl)-3-ethylheptan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethylheptan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethylheptan-2-ol is CCCCC(CC)C(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethylheptan-2-ol?
The InChIKey is IHNFOWDMXIORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-3-5-8-13(4-2)15(17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,17H,3-5,8,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethylheptan-2-ol?
1-(3-chlorophenyl)-3-ethylheptan-2-ol has a molecular weight of 254.80 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethylheptan-2-ol is sourced from PubChem (CID 63517929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).