5-(4-propylphenyl)hexane-2,3-diol

C15H24O2 — CID 83921595

IUPAC5-(4-propylphenyl)hexane-2,3-diol
SMILESCCCc1ccc(C(C)CC(O)C(C)O)cc1
InChIInChI=1S/C15H24O2/c1-4-5-13-6-8-14(9-7-13)11(2)10-15(17)12(3)16/h6-9,11-12,15-17H,4-5,10H2,1-3H3
InChIKeyDPVQJFWCYHKGLF-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.87
Rot. Bonds6

About 5-(4-propylphenyl)hexane-2,3-diol

5-(4-propylphenyl)hexane-2,3-diol (PubChem CID 83921595) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-(4-propylphenyl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(4-propylphenyl)hexane-2,3-diol
PubChem CID83921595
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name5-(4-propylphenyl)hexane-2,3-diol
SMILESCCCc1ccc(C(C)CC(O)C(C)O)cc1
InChIInChI=1S/C15H24O2/c1-4-5-13-6-8-14(9-7-13)11(2)10-15(17)12(3)16/h6-9,11-12,15-17H,4-5,10H2,1-3H3
InChIKeyDPVQJFWCYHKGLF-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
5-(4-propan-2-ylsulfonylphenyl)hexane-2,3-diol
CID 83927137
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-methyl-4-[(2R)-1-[4-[2-(4-propylphenyl)ethyl]phenyl]propan-2-yl]benzene
CID 139753489
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
CID 173386204
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
2-methyl-1-(4-propylphenyl)propane-1,2-diol
CID 103449002

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)hexane-2,3-diol?
The IUPAC name of 5-(4-propylphenyl)hexane-2,3-diol (CID 83921595) is 5-(4-propylphenyl)hexane-2,3-diol.
What is the SMILES notation for 5-(4-propylphenyl)hexane-2,3-diol?
The canonical SMILES for 5-(4-propylphenyl)hexane-2,3-diol is CCCc1ccc(C(C)CC(O)C(C)O)cc1.
What is the InChIKey of 5-(4-propylphenyl)hexane-2,3-diol?
The InChIKey is DPVQJFWCYHKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-13-6-8-14(9-7-13)11(2)10-15(17)12(3)16/h6-9,11-12,15-17H,4-5,10H2,1-3H3.
What are the key properties of 5-(4-propylphenyl)hexane-2,3-diol?
5-(4-propylphenyl)hexane-2,3-diol has a molecular weight of 236.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)hexane-2,3-diol is sourced from PubChem (CID 83921595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).