1-ethyl-7-methoxy-6-propan-2-ylnaphthalene

C16H20O — CID 14828144

IUPAC1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
SMILESCCc1cccc2cc(C(C)C)c(OC)cc12
InChIInChI=1S/C16H20O/c1-5-12-7-6-8-13-9-14(11(2)3)16(17-4)10-15(12)13/h6-11H,5H2,1-4H3
InChIKeyBSSMSWBXDZKDMT-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.53
Rot. Bonds3

About 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene

1-ethyl-7-methoxy-6-propan-2-ylnaphthalene (PubChem CID 14828144) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
PubChem CID14828144
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
SMILESCCc1cccc2cc(C(C)C)c(OC)cc12
InChIInChI=1S/C16H20O/c1-5-12-7-6-8-13-9-14(11(2)3)16(17-4)10-15(12)13/h6-11H,5H2,1-4H3
InChIKeyBSSMSWBXDZKDMT-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene?
The IUPAC name of 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene (CID 14828144) is 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene.
What is the SMILES notation for 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene?
The canonical SMILES for 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene is CCc1cccc2cc(C(C)C)c(OC)cc12.
What is the InChIKey of 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene?
The InChIKey is BSSMSWBXDZKDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-5-12-7-6-8-13-9-14(11(2)3)16(17-4)10-15(12)13/h6-11H,5H2,1-4H3.
What are the key properties of 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene?
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene has a molecular weight of 228.33 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-6-propan-2-ylnaphthalene is sourced from PubChem (CID 14828144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).