2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene

C19H20O — CID 83937148

IUPAC2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
SMILESCC#CCCc1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C19H20O/c1-3-4-6-11-18-12-13-19(14-16(18)2)20-15-17-9-7-5-8-10-17/h5,7-10,12-14H,6,11,15H2,1-2H3
InChIKeyNQAGWRFNECINIY-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.53
Rot. Bonds5

About 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene

2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene (PubChem CID 83937148) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
PubChem CID83937148
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
SMILESCC#CCCc1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C19H20O/c1-3-4-6-11-18-12-13-19(14-16(18)2)20-15-17-9-7-5-8-10-17/h5,7-10,12-14H,6,11,15H2,1-2H3
InChIKeyNQAGWRFNECINIY-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
1-(2-methyl-4-phenylmethoxyphenyl)heptan-4-one
CID 83937135
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536
4-(2-methyl-4-phenylmethoxyphenyl)but-3-yn-1-ol
CID 83134790
2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
CID 83937167
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene?
The IUPAC name of 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene (CID 83937148) is 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene.
What is the SMILES notation for 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene?
The canonical SMILES for 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene is CC#CCCc1ccc(OCc2ccccc2)cc1C.
What is the InChIKey of 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene?
The InChIKey is NQAGWRFNECINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-4-6-11-18-12-13-19(14-16(18)2)20-15-17-9-7-5-8-10-17/h5,7-10,12-14H,6,11,15H2,1-2H3.
What are the key properties of 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene?
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene has a molecular weight of 264.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene is sourced from PubChem (CID 83937148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).