1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol

C20H26O4 — CID 10042284

IUPAC1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol
SMILESC/C=C/c1cc2cc(OC)cc(OC)c2c(OC(C)C)c1C(C)O
InChIInChI=1S/C20H26O4/c1-7-8-14-9-15-10-16(22-5)11-17(23-6)19(15)20(24-12(2)3)18(14)13(4)21/h7-13,21H,1-6H3/b8-7+
InChIKeyUHIRZFCPQYGKDR-BQYQJAHWSA-N
MW330.42 g/mol
LogP4.73
Rot. Bonds6

About 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol

1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol (PubChem CID 10042284) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol
PubChem CID10042284
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol
SMILESC/C=C/c1cc2cc(OC)cc(OC)c2c(OC(C)C)c1C(C)O
InChIInChI=1S/C20H26O4/c1-7-8-14-9-15-10-16(22-5)11-17(23-6)19(15)20(24-12(2)3)18(14)13(4)21/h7-13,21H,1-6H3/b8-7+
InChIKeyUHIRZFCPQYGKDR-BQYQJAHWSA-N
XLogP4.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol?
The IUPAC name of 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol (CID 10042284) is 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol.
What is the SMILES notation for 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol?
The canonical SMILES for 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol is C/C=C/c1cc2cc(OC)cc(OC)c2c(OC(C)C)c1C(C)O.
What is the InChIKey of 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol?
The InChIKey is UHIRZFCPQYGKDR-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H26O4/c1-7-8-14-9-15-10-16(22-5)11-17(23-6)19(15)20(24-12(2)3)18(14)13(4)21/h7-13,21H,1-6H3/b8-7+.
What are the key properties of 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol?
1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol has a molecular weight of 330.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,8-dimethoxy-1-propan-2-yloxy-3-[(E)-prop-1-enyl]naphthalen-2-yl]ethanol is sourced from PubChem (CID 10042284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).