(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C17H23FO3 — CID 79907174

IUPAC(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1F
InChIInChI=1S/C17H23FO3/c1-20-15-5-4-12(10-14(15)18)16(19)13-6-9-21-17(11-13)7-2-3-8-17/h4-5,10,13,16,19H,2-3,6-9,11H2,1H3
InChIKeySHIXHWSNDDTRNE-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.61
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79907174) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79907174
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1F
InChIInChI=1S/C17H23FO3/c1-20-15-5-4-12(10-14(15)18)16(19)13-6-9-21-17(11-13)7-2-3-8-17/h4-5,10,13,16,19H,2-3,6-9,11H2,1H3
InChIKeySHIXHWSNDDTRNE-UHFFFAOYSA-N
XLogP3.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(3,4-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79906909
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79907174) is (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is COc1ccc(C(O)C2CCOC3(CCCC3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is SHIXHWSNDDTRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c1-20-15-5-4-12(10-14(15)18)16(19)13-6-9-21-17(11-13)7-2-3-8-17/h4-5,10,13,16,19H,2-3,6-9,11H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 294.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79907174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).