4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol

C15H24O2 — CID 170154236

IUPAC4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C(CC(C)C)C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)8-14(11(3)4)13-7-6-12(16)9-15(13)17-5/h6-7,9-11,14,16H,8H2,1-5H3
InChIKeyZGHKGXDUWCUGIL-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.19
Rot. Bonds5

About 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol

4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol (PubChem CID 170154236) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol.

Molecular Properties

Compound Name4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol
PubChem CID170154236
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C(CC(C)C)C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)8-14(11(3)4)13-7-6-12(16)9-15(13)17-5/h6-7,9-11,14,16H,8H2,1-5H3
InChIKeyZGHKGXDUWCUGIL-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-(2-methylpentan-3-yl)phenol
CID 138474413
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-3-methoxyphenol
CID 171261323
3-methoxy-4-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171274515
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171261336
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171267020
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
CID 171200731
1-(4-hydroxy-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873959
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
CID 112509523

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol?
The IUPAC name of 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol (CID 170154236) is 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol.
What is the SMILES notation for 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol?
The canonical SMILES for 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol is COc1cc(O)ccc1C(CC(C)C)C(C)C.
What is the InChIKey of 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol?
The InChIKey is ZGHKGXDUWCUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)8-14(11(3)4)13-7-6-12(16)9-15(13)17-5/h6-7,9-11,14,16H,8H2,1-5H3.
What are the key properties of 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol?
4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol has a molecular weight of 236.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol is sourced from PubChem (CID 170154236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).