7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol

C21H32O4 — CID 11681794

IUPAC7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCOc1ccc(CCC2(O)C(C)CCC3(OCCO3)C2(C)C)cc1C
InChIInChI=1S/C21H32O4/c1-15-14-17(6-7-18(15)23-5)9-10-20(22)16(2)8-11-21(19(20,3)4)24-12-13-25-21/h6-7,14,16,22H,8-13H2,1-5H3
InChIKeyQSBGOEUEIHDQLE-UHFFFAOYSA-N
MW348.48 g/mol
LogP3.87
Rot. Bonds4

About 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol

7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 11681794) has the molecular formula C21H32O4 and a molecular weight of 348.48 g/mol. Its IUPAC name is 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID11681794
Molecular FormulaC21H32O4
Molecular Weight348.48 g/mol
Exact Mass348.23
IUPAC Name7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol
SMILESCOc1ccc(CCC2(O)C(C)CCC3(OCCO3)C2(C)C)cc1C
InChIInChI=1S/C21H32O4/c1-15-14-17(6-7-18(15)23-5)9-10-20(22)16(2)8-11-21(19(20,3)4)24-12-13-25-21/h6-7,14,16,22H,8-13H2,1-5H3
InChIKeyQSBGOEUEIHDQLE-UHFFFAOYSA-N
XLogP3.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol with MolForge

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Related Compounds

5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042778
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
(4-methoxy-3-methylphenyl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 7071651
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83691069
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
CID 112518040

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol (CID 11681794) is 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol is COc1ccc(CCC2(O)C(C)CCC3(OCCO3)C2(C)C)cc1C.
What is the InChIKey of 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is QSBGOEUEIHDQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O4/c1-15-14-17(6-7-18(15)23-5)9-10-20(22)16(2)8-11-21(19(20,3)4)24-12-13-25-21/h6-7,14,16,22H,8-13H2,1-5H3.
What are the key properties of 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol?
7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 348.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 11681794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).