1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene

C17H15Cl — CID 138911197

IUPAC1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene
SMILESCC[C@@H](C#Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15Cl/c1-2-15(16-8-4-3-5-9-16)12-11-14-7-6-10-17(18)13-14/h3-10,13,15H,2H2,1H3/t15-/m0/s1
InChIKeyFVJBGFPRMRIXKP-HNNXBMFYSA-N
MW254.76 g/mol
LogP4.89
Rot. Bonds2

About 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene

1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene (PubChem CID 138911197) has the molecular formula C17H15Cl and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene
PubChem CID138911197
Molecular FormulaC17H15Cl
Molecular Weight254.76 g/mol
Exact Mass254.09
IUPAC Name1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene
SMILESCC[C@@H](C#Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H15Cl/c1-2-15(16-8-4-3-5-9-16)12-11-14-7-6-10-17(18)13-14/h3-10,13,15H,2H2,1H3/t15-/m0/s1
InChIKeyFVJBGFPRMRIXKP-HNNXBMFYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
4,4,5,5-tetramethyl-2-[4-[(3R)-3-phenylpent-1-ynyl]phenyl]-1,3,2-dioxaborolane
CID 138911295
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-phenylhex-5-en-1-yn-3-ylbenzene
CID 11183874
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
ethane;2-phenylbutanenitrile
CID 91343198
[(3R)-6-methoxy-1-phenylhex-1-yn-3-yl]benzene
CID 138911269
4-[3-(3-chlorophenyl)-4-(3,4-dimethylphenyl)but-1-ynyl]-2-ethylbenzaldehyde
CID 90139517
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-propylpentanamide
CID 90548362
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
CID 64537162

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene?
The IUPAC name of 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene (CID 138911197) is 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene.
What is the SMILES notation for 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene?
The canonical SMILES for 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene is CC[C@@H](C#Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene?
The InChIKey is FVJBGFPRMRIXKP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15Cl/c1-2-15(16-8-4-3-5-9-16)12-11-14-7-6-10-17(18)13-14/h3-10,13,15H,2H2,1H3/t15-/m0/s1.
What are the key properties of 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene?
1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene has a molecular weight of 254.76 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(3R)-3-phenylpent-1-ynyl]benzene is sourced from PubChem (CID 138911197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).