6-(3-methylphenyl)hexan-3-ol

C13H20O — CID 64513249

IUPAC6-(3-methylphenyl)hexan-3-ol
SMILESCCC(O)CCCc1cccc(C)c1
InChIInChI=1S/C13H20O/c1-3-13(14)9-5-8-12-7-4-6-11(2)10-12/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3
InChIKeyRZSWMODMLVZEMY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.09
Rot. Bonds5

About 6-(3-methylphenyl)hexan-3-ol

6-(3-methylphenyl)hexan-3-ol (PubChem CID 64513249) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 6-(3-methylphenyl)hexan-3-ol.

Molecular Properties

Compound Name6-(3-methylphenyl)hexan-3-ol
PubChem CID64513249
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name6-(3-methylphenyl)hexan-3-ol
SMILESCCC(O)CCCc1cccc(C)c1
InChIInChI=1S/C13H20O/c1-3-13(14)9-5-8-12-7-4-6-11(2)10-12/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3
InChIKeyRZSWMODMLVZEMY-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-(3-methylphenyl)nonan-3-ol
CID 105085389
5-(3-methylphenyl)pentan-2-amine
CID 64502928
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
6-(4-ethylphenyl)hexan-3-ol
CID 64514640
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
3-(3-hydroxypentyl)phenol
CID 21193621

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)hexan-3-ol?
The IUPAC name of 6-(3-methylphenyl)hexan-3-ol (CID 64513249) is 6-(3-methylphenyl)hexan-3-ol.
What is the SMILES notation for 6-(3-methylphenyl)hexan-3-ol?
The canonical SMILES for 6-(3-methylphenyl)hexan-3-ol is CCC(O)CCCc1cccc(C)c1.
What is the InChIKey of 6-(3-methylphenyl)hexan-3-ol?
The InChIKey is RZSWMODMLVZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-13(14)9-5-8-12-7-4-6-11(2)10-12/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3.
What are the key properties of 6-(3-methylphenyl)hexan-3-ol?
6-(3-methylphenyl)hexan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)hexan-3-ol is sourced from PubChem (CID 64513249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).