1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene

C20H24O — CID 70159395

IUPAC1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
SMILESC=Cc1ccc(-c2ccc(O[C@H](C)CCCC)cc2)cc1
InChIInChI=1S/C20H24O/c1-4-6-7-16(3)21-20-14-12-19(13-15-20)18-10-8-17(5-2)9-11-18/h5,8-16H,2,4,6-7H2,1,3H3/t16-/m1/s1
InChIKeyBPQMNZBUHDSVQP-MRXNPFEDSA-N
MW280.41 g/mol
LogP5.95
Rot. Bonds7

About 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene

1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene (PubChem CID 70159395) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
PubChem CID70159395
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
SMILESC=Cc1ccc(-c2ccc(O[C@H](C)CCCC)cc2)cc1
InChIInChI=1S/C20H24O/c1-4-6-7-16(3)21-20-14-12-19(13-15-20)18-10-8-17(5-2)9-11-18/h5,8-16H,2,4,6-7H2,1,3H3/t16-/m1/s1
InChIKeyBPQMNZBUHDSVQP-MRXNPFEDSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene?
The IUPAC name of 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene (CID 70159395) is 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene?
The canonical SMILES for 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene is C=Cc1ccc(-c2ccc(O[C@H](C)CCCC)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene?
The InChIKey is BPQMNZBUHDSVQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24O/c1-4-6-7-16(3)21-20-14-12-19(13-15-20)18-10-8-17(5-2)9-11-18/h5,8-16H,2,4,6-7H2,1,3H3/t16-/m1/s1.
What are the key properties of 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene?
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene has a molecular weight of 280.41 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene is sourced from PubChem (CID 70159395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).