7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol

C17H22O2 — CID 14139257

IUPAC7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
SMILESC=CC1(C)Cc2c(O)ccc(OC)c2CC1C(=C)C
InChIInChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3
InChIKeyPETYPULCQDOVJC-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.88
Rot. Bonds3

About 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol

7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol (PubChem CID 14139257) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol.

Molecular Properties

Compound Name7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
PubChem CID14139257
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
SMILESC=CC1(C)Cc2c(O)ccc(OC)c2CC1C(=C)C
InChIInChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3
InChIKeyPETYPULCQDOVJC-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol?
The IUPAC name of 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol (CID 14139257) is 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol.
What is the SMILES notation for 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol?
The canonical SMILES for 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol is C=CC1(C)Cc2c(O)ccc(OC)c2CC1C(=C)C.
What is the InChIKey of 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol?
The InChIKey is PETYPULCQDOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3.
What are the key properties of 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol?
7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol is sourced from PubChem (CID 14139257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).