8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol

C19H28O2 — CID 103432732

IUPAC8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
SMILESCOc1c(C2(O)CCC3(CCCC3)CC2)ccc(C)c1C
InChIInChI=1S/C19H28O2/c1-14-6-7-16(17(21-3)15(14)2)19(20)12-10-18(11-13-19)8-4-5-9-18/h6-7,20H,4-5,8-13H2,1-3H3
InChIKeyWLAXWTBDDWQHJD-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.63
Rot. Bonds2

About 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol

8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol (PubChem CID 103432732) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
PubChem CID103432732
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
SMILESCOc1c(C2(O)CCC3(CCCC3)CC2)ccc(C)c1C
InChIInChI=1S/C19H28O2/c1-14-6-7-16(17(21-3)15(14)2)19(20)12-10-18(11-13-19)8-4-5-9-18/h6-7,20H,4-5,8-13H2,1-3H3
InChIKeyWLAXWTBDDWQHJD-UHFFFAOYSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 103432648
4-(2-methoxy-3,4-dimethylphenyl)-1-methylazepan-4-ol
CID 103432584
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
2-(2-methoxy-3,4-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 103432445
3-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432568
1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 103432682
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-ol
CID 117336720
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
4-(1-hydroxycyclopropyl)-3-methoxy-2,6-dimethylphenol
CID 84780188
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol (CID 103432732) is 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol is COc1c(C2(O)CCC3(CCCC3)CC2)ccc(C)c1C.
What is the InChIKey of 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol?
The InChIKey is WLAXWTBDDWQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-14-6-7-16(17(21-3)15(14)2)19(20)12-10-18(11-13-19)8-4-5-9-18/h6-7,20H,4-5,8-13H2,1-3H3.
What are the key properties of 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol?
8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol has a molecular weight of 288.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 103432732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).