2-ethynyl-4-methoxy-1-phenylmethoxybenzene

C16H14O2 — CID 154814757

IUPAC2-ethynyl-4-methoxy-1-phenylmethoxybenzene
SMILESC#Cc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C16H14O2/c1-3-14-11-15(17-2)9-10-16(14)18-12-13-7-5-4-6-8-13/h1,4-11H,12H2,2H3
InChIKeySKKAIFSLSDIXAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.26
Rot. Bonds4

About 2-ethynyl-4-methoxy-1-phenylmethoxybenzene

2-ethynyl-4-methoxy-1-phenylmethoxybenzene (PubChem CID 154814757) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethynyl-4-methoxy-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-ethynyl-4-methoxy-1-phenylmethoxybenzene
PubChem CID154814757
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-ethynyl-4-methoxy-1-phenylmethoxybenzene
SMILESC#Cc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C16H14O2/c1-3-14-11-15(17-2)9-10-16(14)18-12-13-7-5-4-6-8-13/h1,4-11H,12H2,2H3
InChIKeySKKAIFSLSDIXAP-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
CID 168720072
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
4-methoxy-2-[(E)-2-methoxyethenyl]-1-phenylmethoxybenzene
CID 101010762
sodium 5-methoxy-2-phenylmethoxybenzenesulfonate
CID 112758476
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-ethynyl-4-[[3-[3-[(2-ethynyl-4-methoxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 134309891
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-4-methoxy-1-phenylmethoxybenzene?
The IUPAC name of 2-ethynyl-4-methoxy-1-phenylmethoxybenzene (CID 154814757) is 2-ethynyl-4-methoxy-1-phenylmethoxybenzene.
What is the SMILES notation for 2-ethynyl-4-methoxy-1-phenylmethoxybenzene?
The canonical SMILES for 2-ethynyl-4-methoxy-1-phenylmethoxybenzene is C#Cc1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of 2-ethynyl-4-methoxy-1-phenylmethoxybenzene?
The InChIKey is SKKAIFSLSDIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-14-11-15(17-2)9-10-16(14)18-12-13-7-5-4-6-8-13/h1,4-11H,12H2,2H3.
What are the key properties of 2-ethynyl-4-methoxy-1-phenylmethoxybenzene?
2-ethynyl-4-methoxy-1-phenylmethoxybenzene has a molecular weight of 238.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4-methoxy-1-phenylmethoxybenzene is sourced from PubChem (CID 154814757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).