(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen

C12H20O — CID 156722104

IUPAC(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
SMILESCC.OCc1cccc(C2CC2)c1.[H][H]
InChIInChI=1S/C10H12O.C2H6.H2/c11-7-8-2-1-3-10(6-8)9-4-5-9;1-2;/h1-3,6,9,11H,4-5,7H2;1-2H3;1H
InChIKeyTWHVDVVWXIGLQW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds2

About (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen

(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen (PubChem CID 156722104) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen.

Molecular Properties

Compound Name(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
PubChem CID156722104
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
SMILESCC.OCc1cccc(C2CC2)c1.[H][H]
InChIInChI=1S/C10H12O.C2H6.H2/c11-7-8-2-1-3-10(6-8)9-4-5-9;1-2;/h1-3,6,9,11H,4-5,7H2;1-2H3;1H
InChIKeyTWHVDVVWXIGLQW-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-cyclopropylphenyl)methanethiol
CID 79977406
[3-(3-fluorocyclohexyl)phenyl]methanol
CID 115025868
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
tert-butyl 3-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57368635
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
[3-(oxolan-2-yl)phenyl]methanol
CID 23506104

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen?
The IUPAC name of (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen (CID 156722104) is (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen.
What is the SMILES notation for (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen?
The canonical SMILES for (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen is CC.OCc1cccc(C2CC2)c1.[H][H].
What is the InChIKey of (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen?
The InChIKey is TWHVDVVWXIGLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H6.H2/c11-7-8-2-1-3-10(6-8)9-4-5-9;1-2;/h1-3,6,9,11H,4-5,7H2;1-2H3;1H.
What are the key properties of (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen?
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen has a molecular weight of 180.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)methanol;ethane;molecular hydrogen is sourced from PubChem (CID 156722104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).