(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol

C15H18O4 — CID 156812708

IUPAC(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol
SMILESOCc1cccc(C23CCC4(CC2O3)OCCO4)c1
InChIInChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)15-5-4-14(9-13(15)19-15)17-6-7-18-14/h1-3,8,13,16H,4-7,9-10H2
InChIKeyRNCGNGZMTYEIMO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds2

About (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol

(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol (PubChem CID 156812708) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol.

Molecular Properties

Compound Name(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol
PubChem CID156812708
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol
SMILESOCc1cccc(C23CCC4(CC2O3)OCCO4)c1
InChIInChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)15-5-4-14(9-13(15)19-15)17-6-7-18-14/h1-3,8,13,16H,4-7,9-10H2
InChIKeyRNCGNGZMTYEIMO-UHFFFAOYSA-N
XLogP1.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-spiro[1,3-dioxolane-2,4'-6-oxabicyclo[3.1.1]heptane]-1'-ylphenyl)methanol
CID 170028211
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CID 168846063
propyl (3S)-3-[4-[(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methoxy]phenyl]hex-4-ynoate
CID 170189125
5-[3-(hydroxymethyl)phenyl]-5-methyloxadiazol-4-one
CID 162689886
[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
CID 117115755
[4-(1,4-dioxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)phenyl]methanol
CID 57048368
8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114601416
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
[4-(2-phenyl-1,3-dioxolan-2-yl)phenyl]methanol
CID 90425557
ethyl 2-[3-(bromomethyl)phenyl]-1,3-dioxolane-2-carboxylate
CID 90419521
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680

Frequently Asked Questions

What is the IUPAC name of (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol?
The IUPAC name of (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol (CID 156812708) is (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol.
What is the SMILES notation for (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol?
The canonical SMILES for (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol is OCc1cccc(C23CCC4(CC2O3)OCCO4)c1.
What is the InChIKey of (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol?
The InChIKey is RNCGNGZMTYEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-10-11-2-1-3-12(8-11)15-5-4-14(9-13(15)19-15)17-6-7-18-14/h1-3,8,13,16H,4-7,9-10H2.
What are the key properties of (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol?
(3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol has a molecular weight of 262.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-spiro[1,3-dioxolane-2,4'-7-oxabicyclo[4.1.0]heptane]-1'-ylphenyl)methanol is sourced from PubChem (CID 156812708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).