4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol

C14H22O3 — CID 58361160

IUPAC4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
SMILESCOc1cc(C(O)C(C)C(C)(C)C)ccc1O
InChIInChI=1S/C14H22O3/c1-9(14(2,3)4)13(16)10-6-7-11(15)12(8-10)17-5/h6-9,13,15-16H,1-5H3
InChIKeyPENOVGQCACFZDQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.12
Rot. Bonds3

About 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol

4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol (PubChem CID 58361160) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
PubChem CID58361160
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
SMILESCOc1cc(C(O)C(C)C(C)(C)C)ccc1O
InChIInChI=1S/C14H22O3/c1-9(14(2,3)4)13(16)10-6-7-11(15)12(8-10)17-5/h6-9,13,15-16H,1-5H3
InChIKeyPENOVGQCACFZDQ-UHFFFAOYSA-N
XLogP3.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 56838657
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
4-[(1S,2R)-1-hydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenol
CID 744362
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
1-(4-hydroxy-3-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873963
(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
CID 58461759

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol?
The IUPAC name of 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol (CID 58361160) is 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol.
What is the SMILES notation for 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol?
The canonical SMILES for 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol is COc1cc(C(O)C(C)C(C)(C)C)ccc1O.
What is the InChIKey of 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol?
The InChIKey is PENOVGQCACFZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(14(2,3)4)13(16)10-6-7-11(15)12(8-10)17-5/h6-9,13,15-16H,1-5H3.
What are the key properties of 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol?
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol is sourced from PubChem (CID 58361160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).