2-phenyl-7-phenylmethoxyhept-5-yn-3-ol

C20H22O2 — CID 56646905

IUPAC2-phenyl-7-phenylmethoxyhept-5-yn-3-ol
SMILESCC(c1ccccc1)C(O)CC#CCOCc1ccccc1
InChIInChI=1S/C20H22O2/c1-17(19-12-6-3-7-13-19)20(21)14-8-9-15-22-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-21H,14-16H2,1H3
InChIKeyHNAWJQQXPPHZQI-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.76
Rot. Bonds6

About 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol

2-phenyl-7-phenylmethoxyhept-5-yn-3-ol (PubChem CID 56646905) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol.

Molecular Properties

Compound Name2-phenyl-7-phenylmethoxyhept-5-yn-3-ol
PubChem CID56646905
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-phenyl-7-phenylmethoxyhept-5-yn-3-ol
SMILESCC(c1ccccc1)C(O)CC#CCOCc1ccccc1
InChIInChI=1S/C20H22O2/c1-17(19-12-6-3-7-13-19)20(21)14-8-9-15-22-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-21H,14-16H2,1H3
InChIKeyHNAWJQQXPPHZQI-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R)-7-phenylmethoxyhept-5-yne-1,2,3-triol
CID 56646956
6-phenylmethoxyhex-4-yne-1,2-diol
CID 56646910
7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
(2S)-1-phenylmethoxyhex-4-yn-2-ol
CID 14428392
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391
7,11-dimethyl-1-phenylmethoxydodec-10-en-2-yn-5-ol
CID 56647739
5-(2,2-diethoxyethoxy)hex-2-ynoxymethylbenzene
CID 126715628
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
1-phenyl-5-phenylmethoxy-2-(trifluoromethyl)pent-3-yn-1-ol
CID 85290082
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
(3R,4R)-4-(4-phenylmethoxybut-2-ynoxy)hexa-1,5-dien-3-ol
CID 44557551
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol?
The IUPAC name of 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol (CID 56646905) is 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol.
What is the SMILES notation for 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol?
The canonical SMILES for 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol is CC(c1ccccc1)C(O)CC#CCOCc1ccccc1.
What is the InChIKey of 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol?
The InChIKey is HNAWJQQXPPHZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-17(19-12-6-3-7-13-19)20(21)14-8-9-15-22-16-18-10-4-2-5-11-18/h2-7,10-13,17,20-21H,14-16H2,1H3.
What are the key properties of 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol?
2-phenyl-7-phenylmethoxyhept-5-yn-3-ol has a molecular weight of 294.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-phenylmethoxyhept-5-yn-3-ol is sourced from PubChem (CID 56646905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).