1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol

C18H18O2 — CID 85205239

IUPAC1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol
SMILESCC1(O)c2ccccc2CCC12OC2c1ccccc1
InChIInChI=1S/C18H18O2/c1-17(19)15-10-6-5-7-13(15)11-12-18(17)16(20-18)14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3
InChIKeyPPPDDPZHPQVSKL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.35
Rot. Bonds1

About 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol

1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol (PubChem CID 85205239) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol.

Molecular Properties

Compound Name1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol
PubChem CID85205239
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol
SMILESCC1(O)c2ccccc2CCC12OC2c1ccccc1
InChIInChI=1S/C18H18O2/c1-17(19)15-10-6-5-7-13(15)11-12-18(17)16(20-18)14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3
InChIKeyPPPDDPZHPQVSKL-UHFFFAOYSA-N
XLogP3.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol?
The IUPAC name of 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol (CID 85205239) is 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol.
What is the SMILES notation for 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol?
The canonical SMILES for 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol is CC1(O)c2ccccc2CCC12OC2c1ccccc1.
What is the InChIKey of 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol?
The InChIKey is PPPDDPZHPQVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-17(19)15-10-6-5-7-13(15)11-12-18(17)16(20-18)14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol?
1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-ol is sourced from PubChem (CID 85205239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).