1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene

C17H16O — CID 174460458

IUPAC1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
SMILESCOc1c(C2C=CC=C2C)ccc2ccccc12
InChIInChI=1S/C17H16O/c1-12-6-5-9-14(12)16-11-10-13-7-3-4-8-15(13)17(16)18-2/h3-11,14H,1-2H3
InChIKeyXUGUXTQUQIIDOT-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.45
Rot. Bonds2

About 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene

1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene (PubChem CID 174460458) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
PubChem CID174460458
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene
SMILESCOc1c(C2C=CC=C2C)ccc2ccccc12
InChIInChI=1S/C17H16O/c1-12-6-5-9-14(12)16-11-10-13-7-3-4-8-15(13)17(16)18-2/h3-11,14H,1-2H3
InChIKeyXUGUXTQUQIIDOT-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene 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-[2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-2-ol;titanium(2+);dichloride
CID 160957887
14H-cyclopenta[a]phenanthrene
CID 18702387
[4-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]phenyl]methanol
CID 175240515
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
CID 141067090
sodium 1-methoxynaphthalen-2-olate
CID 139799062
1-methoxy-2-nitronaphthalene
CID 10899709
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
2-tert-butyl-1-methoxynaphthalene
CID 169287795
(1-methoxynaphthalen-2-yl)-trimethylsilane
CID 15173794
N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 154500027
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
1-methoxy-2-propylnaphthalene
CID 19091368

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene?
The IUPAC name of 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene (CID 174460458) is 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene.
What is the SMILES notation for 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene?
The canonical SMILES for 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene is COc1c(C2C=CC=C2C)ccc2ccccc12.
What is the InChIKey of 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene?
The InChIKey is XUGUXTQUQIIDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-6-5-9-14(12)16-11-10-13-7-3-4-8-15(13)17(16)18-2/h3-11,14H,1-2H3.
What are the key properties of 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene?
1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene has a molecular weight of 236.31 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylcyclopenta-2,4-dien-1-yl)naphthalene is sourced from PubChem (CID 174460458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).