5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol

C16H26O — CID 66059935

IUPAC5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
SMILESCc1ccccc1CC(CO)CCC(C)(C)C
InChIInChI=1S/C16H26O/c1-13-7-5-6-8-15(13)11-14(12-17)9-10-16(2,3)4/h5-8,14,17H,9-12H2,1-4H3
InChIKeyUDMRAWXQOBQRBS-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.97
Rot. Bonds5

About 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol

5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol (PubChem CID 66059935) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
PubChem CID66059935
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
SMILESCc1ccccc1CC(CO)CCC(C)(C)C
InChIInChI=1S/C16H26O/c1-13-7-5-6-8-15(13)11-14(12-17)9-10-16(2,3)4/h5-8,14,17H,9-12H2,1-4H3
InChIKeyUDMRAWXQOBQRBS-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
CID 66060531
5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 113474720
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66059277
4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
CID 66058675
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
1-chloro-2-[2-(chloromethyl)-5,5-dimethylhexyl]benzene
CID 66050569
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol?
The IUPAC name of 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol (CID 66059935) is 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol?
The canonical SMILES for 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol is Cc1ccccc1CC(CO)CCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol?
The InChIKey is UDMRAWXQOBQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-13-7-5-6-8-15(13)11-14(12-17)9-10-16(2,3)4/h5-8,14,17H,9-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol?
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol is sourced from PubChem (CID 66059935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).