3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane

C15H19ClO2 — CID 66343590

IUPAC3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
SMILESCOc1ccc(OC2CC(Cl)C23CCCC3)cc1
InChIInChI=1S/C15H19ClO2/c1-17-11-4-6-12(7-5-11)18-14-10-13(16)15(14)8-2-3-9-15/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyAGPWARUDYUGBER-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.01
Rot. Bonds3

About 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane

3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane (PubChem CID 66343590) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane.

Molecular Properties

Compound Name3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
PubChem CID66343590
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane
SMILESCOc1ccc(OC2CC(Cl)C23CCCC3)cc1
InChIInChI=1S/C15H19ClO2/c1-17-11-4-6-12(7-5-11)18-14-10-13(16)15(14)8-2-3-9-15/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyAGPWARUDYUGBER-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Chloro-2-methylpropan-2-yl)-2-ethoxybenzene
CID 824236
1-(Chloromethyl)-4-(octyloxy)benzene
CID 14674286
1-[3-Chloro-1-(4-fluorophenyl)propoxy]-4-methoxybenzene
CID 22225892
1-[3-Chloro-1-(4-methoxyphenoxy)propyl]-2,3-difluorobenzene
CID 174428514
2-(4-Methoxyphenoxy)-1-phenyl-1-chloropropane
CID 14248734
4-chloro-7-methoxyspiro[4,5-dihydro-3H-1-benzoxepine-2,1'-cyclopentane]
CID 102475552
1-(Benzyloxy)-4-[(6-chlorohexyl)oxy]benzene
CID 129867460
2-tert-butyl-1-[(E)-4-chloro-3-methylbut-2-enoxy]-4-methoxybenzene
CID 134887443
2-tert-butyl-4-[(E)-4-chloro-3-methylbut-2-enoxy]-1-methoxybenzene
CID 134896963
(2S,3aS)-2-(4-methoxyphenoxy)-3a-prop-2-enyl-2,3,4,5-tetrahydro-1H-pentalene
CID 134962109
4-[1-(1-Methylcyclopentyl)propoxy]phenol
CID 177546031
3-Chloro-1-(3,5-difluorophenoxy)spiro[3.6]decane
CID 66343305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane?
The IUPAC name of 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane (CID 66343590) is 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane.
What is the SMILES notation for 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane?
The canonical SMILES for 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane is COc1ccc(OC2CC(Cl)C23CCCC3)cc1.
What is the InChIKey of 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane?
The InChIKey is AGPWARUDYUGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-17-11-4-6-12(7-5-11)18-14-10-13(16)15(14)8-2-3-9-15/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane?
3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane has a molecular weight of 266.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-methoxyphenoxy)spiro[3.4]octane is sourced from PubChem (CID 66343590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).