(1R)-1-(4-methylphenyl)propan-1-ol;propane

C13H22O — CID 144859103

IUPAC(1R)-1-(4-methylphenyl)propan-1-ol;propane
SMILESCCC.CC[C@@H](O)c1ccc(C)cc1
InChIInChI=1S/C10H14O.C3H8/c1-3-10(11)9-6-4-8(2)5-7-9;1-3-2/h4-7,10-11H,3H2,1-2H3;3H2,1-2H3/t10-;/m1./s1
InChIKeyZREGXRHHBHMIQI-HNCPQSOCSA-N
MW194.32 g/mol
LogP3.85
Rot. Bonds2

About (1R)-1-(4-methylphenyl)propan-1-ol;propane

(1R)-1-(4-methylphenyl)propan-1-ol;propane (PubChem CID 144859103) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1R)-1-(4-methylphenyl)propan-1-ol;propane.

Molecular Properties

Compound Name(1R)-1-(4-methylphenyl)propan-1-ol;propane
PubChem CID144859103
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1R)-1-(4-methylphenyl)propan-1-ol;propane
SMILESCCC.CC[C@@H](O)c1ccc(C)cc1
InChIInChI=1S/C10H14O.C3H8/c1-3-10(11)9-6-4-8(2)5-7-9;1-3-2/h4-7,10-11H,3H2,1-2H3;3H2,1-2H3/t10-;/m1./s1
InChIKeyZREGXRHHBHMIQI-HNCPQSOCSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
1-phenylpropan-1-ol;hydrate
CID 156782934
1-(4-ethenylphenyl)propan-1-ol
CID 57179237
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylphenyl)propan-1-ol;propane?
The IUPAC name of (1R)-1-(4-methylphenyl)propan-1-ol;propane (CID 144859103) is (1R)-1-(4-methylphenyl)propan-1-ol;propane.
What is the SMILES notation for (1R)-1-(4-methylphenyl)propan-1-ol;propane?
The canonical SMILES for (1R)-1-(4-methylphenyl)propan-1-ol;propane is CCC.CC[C@@H](O)c1ccc(C)cc1.
What is the InChIKey of (1R)-1-(4-methylphenyl)propan-1-ol;propane?
The InChIKey is ZREGXRHHBHMIQI-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14O.C3H8/c1-3-10(11)9-6-4-8(2)5-7-9;1-3-2/h4-7,10-11H,3H2,1-2H3;3H2,1-2H3/t10-;/m1./s1.
What are the key properties of (1R)-1-(4-methylphenyl)propan-1-ol;propane?
(1R)-1-(4-methylphenyl)propan-1-ol;propane has a molecular weight of 194.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylphenyl)propan-1-ol;propane is sourced from PubChem (CID 144859103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).