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

C13H16O2 — CID 83930653

IUPAC2-methoxy-6-(2-methylpent-3-ynyl)phenol
SMILESCC#CC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C13H16O2/c1-4-6-10(2)9-11-7-5-8-12(15-3)13(11)14/h5,7-8,10,14H,9H2,1-3H3
InChIKeyCNYVPIOFENVDKE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.60
Rot. Bonds3

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

2-methoxy-6-(2-methylpent-3-ynyl)phenol (PubChem CID 83930653) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-6-(2-methylpent-3-ynyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(2-methylpent-3-ynyl)phenol
PubChem CID83930653
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methoxy-6-(2-methylpent-3-ynyl)phenol
SMILESCC#CC(C)Cc1cccc(OC)c1O
InChIInChI=1S/C13H16O2/c1-4-6-10(2)9-11-7-5-8-12(15-3)13(11)14/h5,7-8,10,14H,9H2,1-3H3
InChIKeyCNYVPIOFENVDKE-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.60
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-methylhex-3-ynyl)phenol
CID 83930654
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
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
CID 14468411
ethane;2-methoxy-6-propylphenol
CID 142869062
N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
CID 43739454
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
3-(2-hydroxy-3-methoxyphenyl)propyl thiocyanate
CID 112718411

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methylpent-3-ynyl)phenol?
The IUPAC name of 2-methoxy-6-(2-methylpent-3-ynyl)phenol (CID 83930653) is 2-methoxy-6-(2-methylpent-3-ynyl)phenol.
What is the SMILES notation for 2-methoxy-6-(2-methylpent-3-ynyl)phenol?
The canonical SMILES for 2-methoxy-6-(2-methylpent-3-ynyl)phenol is CC#CC(C)Cc1cccc(OC)c1O.
What is the InChIKey of 2-methoxy-6-(2-methylpent-3-ynyl)phenol?
The InChIKey is CNYVPIOFENVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-6-10(2)9-11-7-5-8-12(15-3)13(11)14/h5,7-8,10,14H,9H2,1-3H3.
What are the key properties of 2-methoxy-6-(2-methylpent-3-ynyl)phenol?
2-methoxy-6-(2-methylpent-3-ynyl)phenol has a molecular weight of 204.27 g/mol, XLogP of 2.60, 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-methylpent-3-ynyl)phenol is sourced from PubChem (CID 83930653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).