3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol

C16H26O — CID 83138672

IUPAC3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCC(C)c1ccc(CC(CO)C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15,17H,10-11H2,1-5H3
InChIKeySYXIIDRVYRKXEC-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.01
Rot. Bonds4

About 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol (PubChem CID 83138672) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
PubChem CID83138672
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
SMILESCC(C)c1ccc(CC(CO)C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15,17H,10-11H2,1-5H3
InChIKeySYXIIDRVYRKXEC-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380
2-[(3,4-difluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83139263
2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
CID 169444062
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol (CID 83138672) is 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol is CC(C)c1ccc(CC(CO)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
The InChIKey is SYXIIDRVYRKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12(2)14-8-6-13(7-9-14)10-15(11-17)16(3,4)5/h6-9,12,15,17H,10-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol?
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol is sourced from PubChem (CID 83138672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).