ethane;[1-(4-methylphenyl)cyclopropyl]methanol

C13H20O — CID 177161781

IUPACethane;[1-(4-methylphenyl)cyclopropyl]methanol
SMILESCC.Cc1ccc(C2(CO)CC2)cc1
InChIInChI=1S/C11H14O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,12H,6-8H2,1H3;1-2H3
InChIKeyBTKJRTXFUBNGFJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.05
Rot. Bonds2

About ethane;[1-(4-methylphenyl)cyclopropyl]methanol

ethane;[1-(4-methylphenyl)cyclopropyl]methanol (PubChem CID 177161781) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;[1-(4-methylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-(4-methylphenyl)cyclopropyl]methanol
PubChem CID177161781
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;[1-(4-methylphenyl)cyclopropyl]methanol
SMILESCC.Cc1ccc(C2(CO)CC2)cc1
InChIInChI=1S/C11H14O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,12H,6-8H2,1H3;1-2H3
InChIKeyBTKJRTXFUBNGFJ-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
CID 142535981
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
2-[1-methyl-4-(4-methylphenyl)piperidin-4-yl]ethanol
CID 121451603
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
CID 59019999
[1-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
CID 142832998

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(4-methylphenyl)cyclopropyl]methanol?
The IUPAC name of ethane;[1-(4-methylphenyl)cyclopropyl]methanol (CID 177161781) is ethane;[1-(4-methylphenyl)cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-(4-methylphenyl)cyclopropyl]methanol?
The canonical SMILES for ethane;[1-(4-methylphenyl)cyclopropyl]methanol is CC.Cc1ccc(C2(CO)CC2)cc1.
What is the InChIKey of ethane;[1-(4-methylphenyl)cyclopropyl]methanol?
The InChIKey is BTKJRTXFUBNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,12H,6-8H2,1H3;1-2H3.
What are the key properties of ethane;[1-(4-methylphenyl)cyclopropyl]methanol?
ethane;[1-(4-methylphenyl)cyclopropyl]methanol has a molecular weight of 192.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(4-methylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 177161781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).