1-hexan-2-yl-4-phenylbenzene

C18H22 — CID 57161678

IUPAC1-hexan-2-yl-4-phenylbenzene
SMILESCCCCC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22/c1-3-4-8-15(2)16-11-13-18(14-12-16)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyRTCXASATDXTJID-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.65
Rot. Bonds5

About 1-hexan-2-yl-4-phenylbenzene

1-hexan-2-yl-4-phenylbenzene (PubChem CID 57161678) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-hexan-2-yl-4-phenylbenzene.

Molecular Properties

Compound Name1-hexan-2-yl-4-phenylbenzene
PubChem CID57161678
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-hexan-2-yl-4-phenylbenzene
SMILESCCCCC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22/c1-3-4-8-15(2)16-11-13-18(14-12-16)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3
InChIKeyRTCXASATDXTJID-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
2-(4-phenylphenyl)hexan-1-amine
CID 121467477
4-hexan-2-ylphenol
CID 12579179
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
pentan-2-ylbenzene
CID 17627
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
(4-hexan-2-ylphenyl)boronic acid
CID 178076965
1-ethyl-4-[3-(4-phenylphenyl)butyl]piperazine
CID 57008677
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-4-phenylbenzene?
The IUPAC name of 1-hexan-2-yl-4-phenylbenzene (CID 57161678) is 1-hexan-2-yl-4-phenylbenzene.
What is the SMILES notation for 1-hexan-2-yl-4-phenylbenzene?
The canonical SMILES for 1-hexan-2-yl-4-phenylbenzene is CCCCC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hexan-2-yl-4-phenylbenzene?
The InChIKey is RTCXASATDXTJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-4-8-15(2)16-11-13-18(14-12-16)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3.
What are the key properties of 1-hexan-2-yl-4-phenylbenzene?
1-hexan-2-yl-4-phenylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-4-phenylbenzene is sourced from PubChem (CID 57161678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).