2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol

C22H28O3 — CID 19819063

IUPAC2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol
SMILESC=CC(C)(O)CCc1c(C)c(OCc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C22H28O3/c1-6-22(5,24)13-12-19-17(4)21(16(3)15(2)20(19)23)25-14-18-10-8-7-9-11-18/h6-11,23-24H,1,12-14H2,2-5H3
InChIKeyJQCUWIRRBINDHU-UHFFFAOYSA-N
MW340.46 g/mol
LogP4.77
Rot. Bonds7

About 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol

2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol (PubChem CID 19819063) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol
PubChem CID19819063
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol
SMILESC=CC(C)(O)CCc1c(C)c(OCc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C22H28O3/c1-6-22(5,24)13-12-19-17(4)21(16(3)15(2)20(19)23)25-14-18-10-8-7-9-11-18/h6-11,23-24H,1,12-14H2,2-5H3
InChIKeyJQCUWIRRBINDHU-UHFFFAOYSA-N
XLogP4.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-hydroxy-3-(3-hydroxy-3-methylpent-4-enyl)-2,5,6-trimethylphenyl] acetate
CID 19819043
3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
CID 15606204
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide
CID 86653783
(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
CID 92532437
(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
CID 166169617
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
1-hepta-1,6-dien-4-yl-3,4,5-trimethyl-2-phenylmethoxybenzene
CID 170000022
2-chloro-4-ethyl-6-hydroxy-3-methyl-5-phenylmethoxybenzoic acid
CID 141171152

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol?
The IUPAC name of 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol (CID 19819063) is 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol.
What is the SMILES notation for 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol?
The canonical SMILES for 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol is C=CC(C)(O)CCc1c(C)c(OCc2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol?
The InChIKey is JQCUWIRRBINDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3/c1-6-22(5,24)13-12-19-17(4)21(16(3)15(2)20(19)23)25-14-18-10-8-7-9-11-18/h6-11,23-24H,1,12-14H2,2-5H3.
What are the key properties of 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol?
2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol has a molecular weight of 340.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol is sourced from PubChem (CID 19819063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).