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

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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).