[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane

C14H20O — CID 145207353

IUPAC[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
SMILESC=Cc1c(C)ccc(CO)c1C=C.CC
InChIInChI=1S/C12H14O.C2H6/c1-4-11-9(3)6-7-10(8-13)12(11)5-2;1-2/h4-7,13H,1-2,8H2,3H3;1-2H3
InChIKeyAOQLVXHTOHEQKH-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.80
Rot. Bonds3

About [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane

[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane (PubChem CID 145207353) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane.

Molecular Properties

Compound Name[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
PubChem CID145207353
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
SMILESC=Cc1c(C)ccc(CO)c1C=C.CC
InChIInChI=1S/C12H14O.C2H6/c1-4-11-9(3)6-7-10(8-13)12(11)5-2;1-2/h4-7,13H,1-2,8H2,3H3;1-2H3
InChIKeyAOQLVXHTOHEQKH-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
1-[2-ethenyl-3-(hydroxymethyl)phenyl]ethanone
CID 161129842
[3-methyl-2-[(Z)-2-(methylideneamino)prop-1-enyl]phenyl]methanol
CID 143569641
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
2-ethenyl-3,6-dimethylbenzenethiol
CID 143494657
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
1-[(3E)-3,6-dimethylhepta-3,5-dienyl]-3-ethenyl-2,4-dimethylbenzene
CID 142004323
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
1-ethenyl-2-methylphenanthrene
CID 18927842
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
(2-bromo-3,4-dimethylphenyl)methanol
CID 66602570

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane?
The IUPAC name of [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane (CID 145207353) is [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane.
What is the SMILES notation for [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane?
The canonical SMILES for [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane is C=Cc1c(C)ccc(CO)c1C=C.CC.
What is the InChIKey of [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane?
The InChIKey is AOQLVXHTOHEQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-4-11-9(3)6-7-10(8-13)12(11)5-2;1-2/h4-7,13H,1-2,8H2,3H3;1-2H3.
What are the key properties of [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane?
[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane has a molecular weight of 204.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane is sourced from PubChem (CID 145207353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).