cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane

C16H20O — CID 143019202

IUPACcyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
SMILESCC.OC(C1=CCC=CC=C1)c1ccccc1
InChIInChI=1S/C14H14O.C2H6/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12;1-2/h1-4,6-11,14-15H,5H2;1-2H3
InChIKeyITFMDCLKMOKAEW-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.19
Rot. Bonds2

About cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane

cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane (PubChem CID 143019202) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane.

Molecular Properties

Compound Namecyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
PubChem CID143019202
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Namecyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
SMILESCC.OC(C1=CCC=CC=C1)c1ccccc1
InChIInChI=1S/C14H14O.C2H6/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12;1-2/h1-4,6-11,14-15H,5H2;1-2H3
InChIKeyITFMDCLKMOKAEW-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol
CID 71156292
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol
CID 154107415
N-[1-(4-chlorophenyl)propyl]-3-cyclohepta-1,4,6-trien-1-yl-3-phenylpropan-1-amine
CID 143150716
bis(cyclopenta-1,3-diene);1,2-dimethoxybenzene
CID 170157168
(2S)-2-(cyclohepta-1,4,6-triene-1-carbonylamino)-2-phenylacetic acid
CID 130334724
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine
CID 142256460
4-[cyclohepta-1,4,6-trien-1-yl(phenyl)methoxy]-1-methylpiperidine;ethyl formate
CID 143127807
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
3-(1-phenylethyl)cyclohepta-1,3,5-triene
CID 123815989
cyclopenta-1,3-diene;ethane;toluene
CID 90880714

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane?
The IUPAC name of cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane (CID 143019202) is cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane.
What is the SMILES notation for cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane?
The canonical SMILES for cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane is CC.OC(C1=CCC=CC=C1)c1ccccc1.
What is the InChIKey of cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane?
The InChIKey is ITFMDCLKMOKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C2H6/c15-14(13-10-6-3-7-11-13)12-8-4-1-2-5-9-12;1-2/h1-4,6-11,14-15H,5H2;1-2H3.
What are the key properties of cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane?
cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane has a molecular weight of 228.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane is sourced from PubChem (CID 143019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).