1-hex-3-ynyl-4-phenoxybenzene

C18H18O — CID 83938993

IUPAC1-hex-3-ynyl-4-phenoxybenzene
SMILESCCC#CCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h5,7-8,10-15H,2,6,9H2,1H3
InChIKeyQWGWHHVCBQRKMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.82
Rot. Bonds4

About 1-hex-3-ynyl-4-phenoxybenzene

1-hex-3-ynyl-4-phenoxybenzene (PubChem CID 83938993) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-hex-3-ynyl-4-phenoxybenzene.

Molecular Properties

Compound Name1-hex-3-ynyl-4-phenoxybenzene
PubChem CID83938993
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-hex-3-ynyl-4-phenoxybenzene
SMILESCCC#CCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18O/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h5,7-8,10-15H,2,6,9H2,1H3
InChIKeyQWGWHHVCBQRKMJ-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.82
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

1-(5-chloropent-3-ynyl)-4-[4-(5-chloropent-3-ynyl)phenoxy]benzene
CID 70541289
1-(2-methylhex-3-ynyl)-4-phenoxybenzene
CID 83938992
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
triethyl-[(4-phenoxyphenyl)methyl]azanium
CID 19809811
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
ethane;phenoxybenzene;propane
CID 90923491
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
1-phenoxy-4-prop-2-ynylbenzene
CID 23267247
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282

Frequently Asked Questions

What is the IUPAC name of 1-hex-3-ynyl-4-phenoxybenzene?
The IUPAC name of 1-hex-3-ynyl-4-phenoxybenzene (CID 83938993) is 1-hex-3-ynyl-4-phenoxybenzene.
What is the SMILES notation for 1-hex-3-ynyl-4-phenoxybenzene?
The canonical SMILES for 1-hex-3-ynyl-4-phenoxybenzene is CCC#CCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-hex-3-ynyl-4-phenoxybenzene?
The InChIKey is QWGWHHVCBQRKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-3-4-6-9-16-12-14-18(15-13-16)19-17-10-7-5-8-11-17/h5,7-8,10-15H,2,6,9H2,1H3.
What are the key properties of 1-hex-3-ynyl-4-phenoxybenzene?
1-hex-3-ynyl-4-phenoxybenzene has a molecular weight of 250.34 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-ynyl-4-phenoxybenzene is sourced from PubChem (CID 83938993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).