8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol

C19H28O — CID 114819189

IUPAC8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
SMILESCc1ccc(C)c(CC2(O)CCC3(CCCC3)CC2)c1
InChIInChI=1S/C19H28O/c1-15-5-6-16(2)17(13-15)14-19(20)11-9-18(10-12-19)7-3-4-8-18/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyOCTFKBPAYCRBAB-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.71
Rot. Bonds2

About 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol

8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol (PubChem CID 114819189) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
PubChem CID114819189
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
SMILESCc1ccc(C)c(CC2(O)CCC3(CCCC3)CC2)c1
InChIInChI=1S/C19H28O/c1-15-5-6-16(2)17(13-15)14-19(20)11-9-18(10-12-19)7-3-4-8-18/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyOCTFKBPAYCRBAB-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65085641
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292
2-[[1-(bromomethyl)cyclohexyl]methyl]-1,4-dimethylbenzene
CID 66050873
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
2-[(2,5-dimethylphenyl)methyl]thiolane-2-carboxylic acid
CID 83174492

Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol?
The IUPAC name of 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol (CID 114819189) is 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol is Cc1ccc(C)c(CC2(O)CCC3(CCCC3)CC2)c1.
What is the InChIKey of 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol?
The InChIKey is OCTFKBPAYCRBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-15-5-6-16(2)17(13-15)14-19(20)11-9-18(10-12-19)7-3-4-8-18/h5-6,13,20H,3-4,7-12,14H2,1-2H3.
What are the key properties of 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol?
8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol has a molecular weight of 272.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).