[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene

C19H20O — CID 138911269

IUPAC[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
SMILESCOCCC[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-20-16-8-13-19(18-11-6-3-7-12-18)15-14-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13,16H2,1H3/t19-/m0/s1
InChIKeyICPREDKJNLFUIV-IBGZPJMESA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds5

About [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene

[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene (PubChem CID 138911269) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene.

Molecular Properties

Compound Name[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
PubChem CID138911269
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
SMILESCOCCC[C@@H](C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-20-16-8-13-19(18-11-6-3-7-12-18)15-14-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13,16H2,1H3/t19-/m0/s1
InChIKeyICPREDKJNLFUIV-IBGZPJMESA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5,7-diphenylhept-6-ynenitrile
CID 138911214
1-phenyl-4-[(3S)-7,7,7-trifluoro-1-phenylhept-1-yn-3-yl]benzene
CID 154720792
1,4,6-triphenylhex-5-yn-1-one
CID 166443450
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
1-methoxy-N-methyl-4-phenylbut-3-yn-2-amine
CID 130664194
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
(1-bromo-6-methoxyhexyl)benzene
CID 64508790
3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
CID 64605677
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631
(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108

Frequently Asked Questions

What is the IUPAC name of [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene?
The IUPAC name of [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene (CID 138911269) is [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene.
What is the SMILES notation for [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene?
The canonical SMILES for [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene is COCCC[C@@H](C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene?
The InChIKey is ICPREDKJNLFUIV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20O/c1-20-16-8-13-19(18-11-6-3-7-12-18)15-14-17-9-4-2-5-10-17/h2-7,9-12,19H,8,13,16H2,1H3/t19-/m0/s1.
What are the key properties of [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene?
[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene has a molecular weight of 264.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene is sourced from PubChem (CID 138911269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).