3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol

C11H12O2 — CID 60799682

IUPAC3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)cc1C
InChIInChI=1S/C11H12O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h5-6,8,12H,7H2,1-2H3
InChIKeyFCXDGVAEVFQKJP-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.35
Rot. Bonds1

About 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol

3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol (PubChem CID 60799682) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
PubChem CID60799682
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)cc1C
InChIInChI=1S/C11H12O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h5-6,8,12H,7H2,1-2H3
InChIKeyFCXDGVAEVFQKJP-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.35
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

4-(4-methoxy-3-methylphenyl)but-3-ynenitrile
CID 170474712
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
3-[3-methyl-4-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55163271
3-(4-cyclohexyloxy-3-methylphenyl)prop-2-yn-1-ol
CID 63214410
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
CID 11469808
3-[3-methyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 106455436
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
3-[3-methyl-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
CID 63937093
3-(4-methoxy-3-methylphenyl)prop-2-ynoic acid
CID 39238188
3-(4-methoxy-3-nitrophenyl)prop-2-yn-1-ol
CID 169485534

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol (CID 60799682) is 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol is COc1ccc(C#CCO)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol?
The InChIKey is FCXDGVAEVFQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9-8-10(4-3-7-12)5-6-11(9)13-2/h5-6,8,12H,7H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol?
3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol has a molecular weight of 176.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 60799682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).