ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol

C18H28O2 — CID 144867938

IUPACethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol
SMILESCC.CC1CC=CC=C1c1ccccc1CO.CCO
InChIInChI=1S/C14H16O.C2H6O.C2H6/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15;1-2-3;1-2/h2-5,7-9,11,15H,6,10H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyJMRSCGTXOAANAL-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.18
Rot. Bonds2

About ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol

ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol (PubChem CID 144867938) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol.

Molecular Properties

Compound Nameethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol
PubChem CID144867938
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Nameethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol
SMILESCC.CC1CC=CC=C1c1ccccc1CO.CCO
InChIInChI=1S/C14H16O.C2H6O.C2H6/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15;1-2-3;1-2/h2-5,7-9,11,15H,6,10H2,1H3;3H,2H2,1H3;1-2H3
InChIKeyJMRSCGTXOAANAL-UHFFFAOYSA-N
XLogP4.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
CID 142113855
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
2-(6-methylcyclohexa-1,3-dien-1-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 166969654
2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol?
The IUPAC name of ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol (CID 144867938) is ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol.
What is the SMILES notation for ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol?
The canonical SMILES for ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol is CC.CC1CC=CC=C1c1ccccc1CO.CCO.
What is the InChIKey of ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol?
The InChIKey is JMRSCGTXOAANAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C2H6O.C2H6/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15;1-2-3;1-2/h2-5,7-9,11,15H,6,10H2,1H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol?
ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;[2-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]methanol is sourced from PubChem (CID 144867938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).