6-(4-ethylphenyl)hexan-3-ol

C14H22O — CID 64514640

IUPAC6-(4-ethylphenyl)hexan-3-ol
SMILESCCc1ccc(CCCC(O)CC)cc1
InChIInChI=1S/C14H22O/c1-3-12-8-10-13(11-9-12)6-5-7-14(15)4-2/h8-11,14-15H,3-7H2,1-2H3
InChIKeyXEWWSUGAJFRSHB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.34
Rot. Bonds6

About 6-(4-ethylphenyl)hexan-3-ol

6-(4-ethylphenyl)hexan-3-ol (PubChem CID 64514640) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-(4-ethylphenyl)hexan-3-ol.

Molecular Properties

Compound Name6-(4-ethylphenyl)hexan-3-ol
PubChem CID64514640
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name6-(4-ethylphenyl)hexan-3-ol
SMILESCCc1ccc(CCCC(O)CC)cc1
InChIInChI=1S/C14H22O/c1-3-12-8-10-13(11-9-12)6-5-7-14(15)4-2/h8-11,14-15H,3-7H2,1-2H3
InChIKeyXEWWSUGAJFRSHB-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-fluorophenyl)hexan-3-ol
CID 64515590
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
6-(3-methylphenyl)hexan-3-ol
CID 64513249
1-(4-iodophenyl)pentan-3-ol
CID 65476724
1,4-bis(4-methylhexyl)benzene
CID 145016441
1-ethyl-4-[3-(4-ethylphenyl)propyl]benzene;methanamine
CID 91443625
nonane-3,7-diol
CID 22141483
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
4-fluoro-2-[(4R)-4-hydroxyhexyl]phenol
CID 142279599
6-(2-methylphenyl)hexan-3-ol
CID 64514172
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
5-phenyl-1-propylsulfanylpentan-2-ol
CID 65130251

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)hexan-3-ol?
The IUPAC name of 6-(4-ethylphenyl)hexan-3-ol (CID 64514640) is 6-(4-ethylphenyl)hexan-3-ol.
What is the SMILES notation for 6-(4-ethylphenyl)hexan-3-ol?
The canonical SMILES for 6-(4-ethylphenyl)hexan-3-ol is CCc1ccc(CCCC(O)CC)cc1.
What is the InChIKey of 6-(4-ethylphenyl)hexan-3-ol?
The InChIKey is XEWWSUGAJFRSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-12-8-10-13(11-9-12)6-5-7-14(15)4-2/h8-11,14-15H,3-7H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)hexan-3-ol?
6-(4-ethylphenyl)hexan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)hexan-3-ol is sourced from PubChem (CID 64514640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).