ethane;1-(4-methylphenyl)cyclopropan-1-ol

C12H18O — CID 178045850

IUPACethane;1-(4-methylphenyl)cyclopropan-1-ol
SMILESCC.Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C10H12O.C2H6/c1-8-2-4-9(5-3-8)10(11)6-7-10;1-2/h2-5,11H,6-7H2,1H3;1-2H3
InChIKeyBOVAEYZDPQIPNG-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.00
Rot. Bonds1

About ethane;1-(4-methylphenyl)cyclopropan-1-ol

ethane;1-(4-methylphenyl)cyclopropan-1-ol (PubChem CID 178045850) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)cyclopropan-1-ol
PubChem CID178045850
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Nameethane;1-(4-methylphenyl)cyclopropan-1-ol
SMILESCC.Cc1ccc(C2(O)CC2)cc1
InChIInChI=1S/C10H12O.C2H6/c1-8-2-4-9(5-3-8)10(11)6-7-10;1-2/h2-5,11H,6-7H2,1H3;1-2H3
InChIKeyBOVAEYZDPQIPNG-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
3-amino-1-(4-methylphenyl)cyclopentan-1-ol
CID 80562597
1-(4-aminophenyl)cyclopropan-1-ol
CID 84649311
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
1-[4-(bromomethyl)phenyl]cyclopropan-1-ol
CID 131145025
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
1-bromo-4-methylbenzene;1-deuterio-4-(4-methylphenyl)piperidin-4-ol;ethane;molecular iodine;triiodide
CID 157495378
ethane;methanol;1,4-xylene
CID 171074418
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)cyclopropan-1-ol?
The IUPAC name of ethane;1-(4-methylphenyl)cyclopropan-1-ol (CID 178045850) is ethane;1-(4-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for ethane;1-(4-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for ethane;1-(4-methylphenyl)cyclopropan-1-ol is CC.Cc1ccc(C2(O)CC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)cyclopropan-1-ol?
The InChIKey is BOVAEYZDPQIPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H6/c1-8-2-4-9(5-3-8)10(11)6-7-10;1-2/h2-5,11H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)cyclopropan-1-ol?
ethane;1-(4-methylphenyl)cyclopropan-1-ol has a molecular weight of 178.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 178045850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).