(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C17H24O3S — CID 79900352

IUPAC(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCCOc1ccccc1C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O3S/c1-2-19-15-6-4-3-5-14(15)16(18)13-7-9-20-17(11-13)8-10-21-12-17/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyTWWLTWYLHMRFCB-UHFFFAOYSA-N
MW308.44 g/mol
LogP3.42
Rot. Bonds4

About (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79900352) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79900352
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCCOc1ccccc1C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C17H24O3S/c1-2-19-15-6-4-3-5-14(15)16(18)13-7-9-20-17(11-13)8-10-21-12-17/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyTWWLTWYLHMRFCB-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
(2-methoxy-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 115823502
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
2-(2-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79909956
(3,4-dimethylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912808
(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79906907
N-[(2-chlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79908708
6-oxa-2-thiaspiro[4.5]decan-9-yl-(2,3,4-trifluorophenyl)methanol
CID 115823440
(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824
(4-methyl-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921292
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79900352) is (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is CCOc1ccccc1C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is TWWLTWYLHMRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c1-2-19-15-6-4-3-5-14(15)16(18)13-7-9-20-17(11-13)8-10-21-12-17/h3-6,13,16,18H,2,7-12H2,1H3.
What are the key properties of (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 308.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79900352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).