4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid

C27H28O3 — CID 175048590

IUPAC4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid
SMILESCCC1=C(c2ccccc2)C(c2cccc3ccccc23)=C(O)CCCC1.O=CO
InChIInChI=1S/C26H26O.CH2O2/c1-2-19-11-7-9-18-24(27)26(25(19)21-13-4-3-5-14-21)23-17-10-15-20-12-6-8-16-22(20)23;2-1-3/h3-6,8,10,12-17,27H,2,7,9,11,18H2,1H3;1H,(H,2,3)
InChIKeyBYVYIFZXOBSXAF-UHFFFAOYSA-N
MW400.52 g/mol
LogP7.25
Rot. Bonds3

About 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid

4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid (PubChem CID 175048590) has the molecular formula C27H28O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid.

Molecular Properties

Compound Name4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid
PubChem CID175048590
Molecular FormulaC27H28O3
Molecular Weight400.52 g/mol
Exact Mass400.20
IUPAC Name4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid
SMILESCCC1=C(c2ccccc2)C(c2cccc3ccccc23)=C(O)CCCC1.O=CO
InChIInChI=1S/C26H26O.CH2O2/c1-2-19-11-7-9-18-24(27)26(25(19)21-13-4-3-5-14-21)23-17-10-15-20-12-6-8-16-22(20)23;2-1-3/h3-6,8,10,12-17,27H,2,7,9,11,18H2,1H3;1H,(H,2,3)
InChIKeyBYVYIFZXOBSXAF-UHFFFAOYSA-N
XLogP7.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid 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

[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
CID 175047118
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
1-ethyl-7-naphthalen-1-yl-3-phenylnaphthalene
CID 145347928
4-ethyl-6-naphthalen-1-yl-1-phenylnaphthalene
CID 161426162
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
1-ethylanthracene;formic acid
CID 175485335
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid?
The IUPAC name of 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid (CID 175048590) is 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid.
What is the SMILES notation for 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid?
The canonical SMILES for 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid is CCC1=C(c2ccccc2)C(c2cccc3ccccc23)=C(O)CCCC1.O=CO.
What is the InChIKey of 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid?
The InChIKey is BYVYIFZXOBSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O.CH2O2/c1-2-19-11-7-9-18-24(27)26(25(19)21-13-4-3-5-14-21)23-17-10-15-20-12-6-8-16-22(20)23;2-1-3/h3-6,8,10,12-17,27H,2,7,9,11,18H2,1H3;1H,(H,2,3).
What are the key properties of 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid?
4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid has a molecular weight of 400.52 g/mol, XLogP of 7.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-naphthalen-1-yl-3-phenylcycloocta-1,3-dien-1-ol;formic acid is sourced from PubChem (CID 175048590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).