ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol

C17H22O — CID 142554767

IUPACethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol
SMILESC=C(O)c1ccc(C2=CCCC(C)=C2)cc1.CC
InChIInChI=1S/C15H16O.C2H6/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16;1-2/h5-10,16H,2-4H2,1H3;1-2H3
InChIKeyVVZSQFRBQCAIEQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP5.36
Rot. Bonds2

About ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol

ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol (PubChem CID 142554767) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol.

Molecular Properties

Compound Nameethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol
PubChem CID142554767
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Nameethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol
SMILESC=C(O)c1ccc(C2=CCCC(C)=C2)cc1.CC
InChIInChI=1S/C15H16O.C2H6/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16;1-2/h5-10,16H,2-4H2,1H3;1-2H3
InChIKeyVVZSQFRBQCAIEQ-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.36
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexa-1,5-dien-1-yl-4-[(2E)-6-(5-methylcyclohexa-1,5-dien-1-yl)hepta-2,6-dien-3-yl]benzene
CID 145264939
4-[3-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 145110724
1-(4-phenylphenyl)ethenol
CID 89336300
7-(5-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 163249662
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
ethane;1-methylcyclobutene
CID 91484029
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
bis(cyclopentane);bis(1-phenylethenol);titanium(2+)
CID 22837019
4-(5-aminocyclohexa-1,5-dien-1-yl)aniline
CID 155261407
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
ethane;1-methyl-4-(5-methylcyclohexa-1,5-dien-1-yl)sulfanylbenzene
CID 142305547

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol?
The IUPAC name of ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol (CID 142554767) is ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol.
What is the SMILES notation for ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol?
The canonical SMILES for ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol is C=C(O)c1ccc(C2=CCCC(C)=C2)cc1.CC.
What is the InChIKey of ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol?
The InChIKey is VVZSQFRBQCAIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C2H6/c1-11-4-3-5-15(10-11)14-8-6-13(7-9-14)12(2)16;1-2/h5-10,16H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol?
ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol has a molecular weight of 242.36 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol is sourced from PubChem (CID 142554767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).