2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol

C17H28O2 — CID 116713134

IUPAC2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
SMILESCOC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)10-13-8-7-9-14(11-13)15(18)16(19-6)17(3,4)5/h7-9,11-12,15-16,18H,10H2,1-6H3
InChIKeyNGAHRESEEUJALV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.98
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol

2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol (PubChem CID 116713134) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
PubChem CID116713134
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
SMILESCOC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)10-13-8-7-9-14(11-13)15(18)16(19-6)17(3,4)5/h7-9,11-12,15-16,18H,10H2,1-6H3
InChIKeyNGAHRESEEUJALV-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
CID 156764154
3,3,4,4,4-pentafluoro-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 156764542
1-(3-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712981
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol (CID 116713134) is 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol is COC(C(O)c1cccc(CC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
The InChIKey is NGAHRESEEUJALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)10-13-8-7-9-14(11-13)15(18)16(19-6)17(3,4)5/h7-9,11-12,15-16,18H,10H2,1-6H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol?
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol is sourced from PubChem (CID 116713134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).