(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol

C16H20O2 — CID 11665939

IUPAC(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol
SMILESC=C1COC2(CCCc3ccccc32)CC1CO
InChIInChI=1S/C16H20O2/c1-12-11-18-16(9-14(12)10-17)8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,14,17H,1,4,6,8-11H2
InChIKeyWXHMDBLGWCUCNK-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.80
Rot. Bonds1

About (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol

(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol (PubChem CID 11665939) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol.

Molecular Properties

Compound Name(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol
PubChem CID11665939
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol
SMILESC=C1COC2(CCCc3ccccc32)CC1CO
InChIInChI=1S/C16H20O2/c1-12-11-18-16(9-14(12)10-17)8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,14,17H,1,4,6,8-11H2
InChIKeyWXHMDBLGWCUCNK-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.80
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 (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol?
The IUPAC name of (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol (CID 11665939) is (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol.
What is the SMILES notation for (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol?
The canonical SMILES for (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol is C=C1COC2(CCCc3ccccc32)CC1CO.
What is the InChIKey of (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol?
The InChIKey is WXHMDBLGWCUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12-11-18-16(9-14(12)10-17)8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,14,17H,1,4,6,8-11H2.
What are the key properties of (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol?
(5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol has a molecular weight of 244.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]-4'-yl)methanol is sourced from PubChem (CID 11665939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).