[(1R)-1-phenylmethoxyprop-2-ynyl]benzene

C16H14O — CID 177433534

IUPAC[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
SMILESC#C[C@@H](OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h1,3-12,16H,13H2/t16-/m1/s1
InChIKeyPMJSAWOIWDERKB-MRXNPFEDSA-N
MW222.29 g/mol
LogP3.58
Rot. Bonds4

About [(1R)-1-phenylmethoxyprop-2-ynyl]benzene

[(1R)-1-phenylmethoxyprop-2-ynyl]benzene (PubChem CID 177433534) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is [(1R)-1-phenylmethoxyprop-2-ynyl]benzene.

Molecular Properties

Compound Name[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
PubChem CID177433534
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
SMILESC#C[C@@H](OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h1,3-12,16H,13H2/t16-/m1/s1
InChIKeyPMJSAWOIWDERKB-MRXNPFEDSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.58
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

benzhydryloxymethylbenzene
CID 11437288
2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
CID 174922724
4-[(1S)-1-phenylprop-2-ynoxy]butane-1,3-diol
CID 174922718
(3S,4S)-4-phenylmethoxypent-1-yn-3-amine
CID 130942712
(2-fluoro-1-methoxybut-3-ynoxy)methylbenzene
CID 135158701
1-ethenoxyprop-2-ynylbenzene
CID 71418172
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750
[(1R,2R,3R)-2,3-bis(phenylmethoxy)-1-[(1S)-1-phenylmethoxyprop-2-ynyl]pent-4-enoxy]methylbenzene
CID 11082024
1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
CID 135072184
1-phenylprop-2-ynyl methanesulfinate
CID 11805600
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
2-methyl-3-(1-phenylmethoxyethyl)pent-4-ynoic acid
CID 71346287

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylmethoxyprop-2-ynyl]benzene?
The IUPAC name of [(1R)-1-phenylmethoxyprop-2-ynyl]benzene (CID 177433534) is [(1R)-1-phenylmethoxyprop-2-ynyl]benzene.
What is the SMILES notation for [(1R)-1-phenylmethoxyprop-2-ynyl]benzene?
The canonical SMILES for [(1R)-1-phenylmethoxyprop-2-ynyl]benzene is C#C[C@@H](OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylmethoxyprop-2-ynyl]benzene?
The InChIKey is PMJSAWOIWDERKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h1,3-12,16H,13H2/t16-/m1/s1.
What are the key properties of [(1R)-1-phenylmethoxyprop-2-ynyl]benzene?
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene has a molecular weight of 222.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylmethoxyprop-2-ynyl]benzene is sourced from PubChem (CID 177433534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).