6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene

C14H20O — CID 22218219

IUPAC6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
SMILESCOc1cc2c(cc1C)CCCC2(C)C
InChIInChI=1S/C14H20O/c1-10-8-11-6-5-7-14(2,3)12(11)9-13(10)15-4/h8-9H,5-7H2,1-4H3
InChIKeyVZQNDDDTBLIBDW-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.62
Rot. Bonds1

About 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene

6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 22218219) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
PubChem CID22218219
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
SMILESCOc1cc2c(cc1C)CCCC2(C)C
InChIInChI=1S/C14H20O/c1-10-8-11-6-5-7-14(2,3)12(11)9-13(10)15-4/h8-9H,5-7H2,1-4H3
InChIKeyVZQNDDDTBLIBDW-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene (CID 22218219) is 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene is COc1cc2c(cc1C)CCCC2(C)C.
What is the InChIKey of 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is VZQNDDDTBLIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10-8-11-6-5-7-14(2,3)12(11)9-13(10)15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene?
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 204.31 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 22218219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).