1,1-diphenylhex-3-yn-2-ol

C18H18O — CID 172793556

IUPAC1,1-diphenylhex-3-yn-2-ol
SMILESCCC#CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19H,2H2,1H3
InChIKeyPWZQCQSCRCZDIU-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.59
Rot. Bonds3

About 1,1-diphenylhex-3-yn-2-ol

1,1-diphenylhex-3-yn-2-ol (PubChem CID 172793556) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,1-diphenylhex-3-yn-2-ol.

Molecular Properties

Compound Name1,1-diphenylhex-3-yn-2-ol
PubChem CID172793556
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1,1-diphenylhex-3-yn-2-ol
SMILESCCC#CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19H,2H2,1H3
InChIKeyPWZQCQSCRCZDIU-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
2-(2-cyano-2-hydroxy-1,2-diphenylethyl)hex-3-ynoic acid
CID 88734970
(1S)-1,2,2-triphenylethanol
CID 38988933
1-bromohex-2-ynylbenzene
CID 164887667
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-ethylsulfanyl-1-phenylprop-2-yn-1-ol
CID 130122146
1-phenylpropan-1-ol;hydrate
CID 156782934
(4-ethylthiophen-2-yl)-phenylmethanol
CID 121226309
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
cumene;2-methylpropane;propane
CID 158125037
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhex-3-yn-2-ol?
The IUPAC name of 1,1-diphenylhex-3-yn-2-ol (CID 172793556) is 1,1-diphenylhex-3-yn-2-ol.
What is the SMILES notation for 1,1-diphenylhex-3-yn-2-ol?
The canonical SMILES for 1,1-diphenylhex-3-yn-2-ol is CCC#CC(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylhex-3-yn-2-ol?
The InChIKey is PWZQCQSCRCZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-19H,2H2,1H3.
What are the key properties of 1,1-diphenylhex-3-yn-2-ol?
1,1-diphenylhex-3-yn-2-ol has a molecular weight of 250.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhex-3-yn-2-ol is sourced from PubChem (CID 172793556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).