3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol

C18H20O — CID 126583308

IUPAC3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol
SMILESC/C=C\C(=C/C)c1c(CC)cc(O)c2ccccc12
InChIInChI=1S/C18H20O/c1-4-9-13(5-2)18-14(6-3)12-17(19)15-10-7-8-11-16(15)18/h4-5,7-12,19H,6H2,1-3H3/b9-4-,13-5+
InChIKeyMXWQQBKQPHETSQ-SMFODQAKSA-N
MW252.36 g/mol
LogP5.09
Rot. Bonds3

About 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol

3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol (PubChem CID 126583308) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol
PubChem CID126583308
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol
SMILESC/C=C\C(=C/C)c1c(CC)cc(O)c2ccccc12
InChIInChI=1S/C18H20O/c1-4-9-13(5-2)18-14(6-3)12-17(19)15-10-7-8-11-16(15)18/h4-5,7-12,19H,6H2,1-3H3/b9-4-,13-5+
InChIKeyMXWQQBKQPHETSQ-SMFODQAKSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol 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

2-Naphthol
CID 8663
1-Naphthol
CID 7005
Magnolol
CID 72300
Honokiol
CID 72303
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,4-Naphthalenediol
CID 11305
Bisphenol C
CID 6620
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
2,3,6-Trimethylphenol
CID 17016
Trimethylhydroquinone
CID 12785
1,5-Dihydroxynaphthalene
CID 6749

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol?
The IUPAC name of 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol (CID 126583308) is 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol.
What is the SMILES notation for 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol?
The canonical SMILES for 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol is C/C=C\C(=C/C)c1c(CC)cc(O)c2ccccc12.
What is the InChIKey of 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol?
The InChIKey is MXWQQBKQPHETSQ-SMFODQAKSA-N. The full InChI is InChI=1S/C18H20O/c1-4-9-13(5-2)18-14(6-3)12-17(19)15-10-7-8-11-16(15)18/h4-5,7-12,19H,6H2,1-3H3/b9-4-,13-5+.
What are the key properties of 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol?
3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol has a molecular weight of 252.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol is sourced from PubChem (CID 126583308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).