2-methoxy-6-(2-methylhex-3-ynyl)phenol

C14H18O2 — CID 83930654

IUPAC2-methoxy-6-(2-methylhex-3-ynyl)phenol
SMILESCCC#CC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C14H18O2/c1-4-5-7-11(2)10-12-8-6-9-13(16-3)14(12)15/h6,8-9,11,15H,4,10H2,1-3H3
InChIKeyKEVMKEUIGGJUIH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.99
Rot. Bonds3

About 2-methoxy-6-(2-methylhex-3-ynyl)phenol

2-methoxy-6-(2-methylhex-3-ynyl)phenol (PubChem CID 83930654) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methoxy-6-(2-methylhex-3-ynyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(2-methylhex-3-ynyl)phenol
PubChem CID83930654
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-methoxy-6-(2-methylhex-3-ynyl)phenol
SMILESCCC#CC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C14H18O2/c1-4-5-7-11(2)10-12-8-6-9-13(16-3)14(12)15/h6,8-9,11,15H,4,10H2,1-3H3
InChIKeyKEVMKEUIGGJUIH-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-(2-methylpent-3-ynyl)phenol
CID 83930653
2-methoxy-6-(2-sulfanylpropyl)phenol
CID 137432074
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
[3-(2-hydroxy-3-methoxyphenyl)-2-methylpropyl] thiocyanate
CID 112718399
ethane;2-methoxy-6-propylphenol
CID 142869062
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
CID 43739454
2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
CID 14468411
2-heptadecyl-6-methoxyphenol
CID 10713705
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methylhex-3-ynyl)phenol?
The IUPAC name of 2-methoxy-6-(2-methylhex-3-ynyl)phenol (CID 83930654) is 2-methoxy-6-(2-methylhex-3-ynyl)phenol.
What is the SMILES notation for 2-methoxy-6-(2-methylhex-3-ynyl)phenol?
The canonical SMILES for 2-methoxy-6-(2-methylhex-3-ynyl)phenol is CCC#CC(C)Cc1cccc(OC)c1O.
What is the InChIKey of 2-methoxy-6-(2-methylhex-3-ynyl)phenol?
The InChIKey is KEVMKEUIGGJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-5-7-11(2)10-12-8-6-9-13(16-3)14(12)15/h6,8-9,11,15H,4,10H2,1-3H3.
What are the key properties of 2-methoxy-6-(2-methylhex-3-ynyl)phenol?
2-methoxy-6-(2-methylhex-3-ynyl)phenol has a molecular weight of 218.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methylhex-3-ynyl)phenol is sourced from PubChem (CID 83930654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).