1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol

C18H26O3 — CID 105116440

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C18H26O3/c1-14-3-2-4-15(11-14)5-6-17(19)16-7-9-21-18(12-16)8-10-20-13-18/h2-4,11,16-17,19H,5-10,12-13H2,1H3
InChIKeyCXZNZNSJMUORIB-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105116440) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105116440
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C18H26O3/c1-14-3-2-4-15(11-14)5-6-17(19)16-7-9-21-18(12-16)8-10-20-13-18/h2-4,11,16-17,19H,5-10,12-13H2,1H3
InChIKeyCXZNZNSJMUORIB-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-phenylpropan-1-ol
CID 79913037
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol (CID 105116440) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)C2CCOC3(CCOC3)C2)c1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is CXZNZNSJMUORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-14-3-2-4-15(11-14)5-6-17(19)16-7-9-21-18(12-16)8-10-20-13-18/h2-4,11,16-17,19H,5-10,12-13H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 290.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105116440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).