2-(1-methoxy-1-phenylethoxy)naphthalene

C19H18O2 — CID 139725280

IUPAC2-(1-methoxy-1-phenylethoxy)naphthalene
SMILESCOC(C)(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-19(20-2,17-10-4-3-5-11-17)21-18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,1-2H3
InChIKeyYBWCZKLQIZLVIP-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.74
Rot. Bonds4

About 2-(1-methoxy-1-phenylethoxy)naphthalene

2-(1-methoxy-1-phenylethoxy)naphthalene (PubChem CID 139725280) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-methoxy-1-phenylethoxy)naphthalene.

Molecular Properties

Compound Name2-(1-methoxy-1-phenylethoxy)naphthalene
PubChem CID139725280
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-(1-methoxy-1-phenylethoxy)naphthalene
SMILESCOC(C)(Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-19(20-2,17-10-4-3-5-11-17)21-18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,1-2H3
InChIKeyYBWCZKLQIZLVIP-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-1-phenylethoxy)naphthalene?
The IUPAC name of 2-(1-methoxy-1-phenylethoxy)naphthalene (CID 139725280) is 2-(1-methoxy-1-phenylethoxy)naphthalene.
What is the SMILES notation for 2-(1-methoxy-1-phenylethoxy)naphthalene?
The canonical SMILES for 2-(1-methoxy-1-phenylethoxy)naphthalene is COC(C)(Oc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(1-methoxy-1-phenylethoxy)naphthalene?
The InChIKey is YBWCZKLQIZLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-19(20-2,17-10-4-3-5-11-17)21-18-13-12-15-8-6-7-9-16(15)14-18/h3-14H,1-2H3.
What are the key properties of 2-(1-methoxy-1-phenylethoxy)naphthalene?
2-(1-methoxy-1-phenylethoxy)naphthalene has a molecular weight of 278.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-1-phenylethoxy)naphthalene is sourced from PubChem (CID 139725280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).