1-[(6S)-6-methyldecoxy]-4-phenylbenzene

C23H32O — CID 54076059

IUPAC1-[(6S)-6-methyldecoxy]-4-phenylbenzene
SMILESCCCC[C@H](C)CCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H32O/c1-3-4-11-20(2)12-7-6-10-19-24-23-17-15-22(16-18-23)21-13-8-5-9-14-21/h5,8-9,13-18,20H,3-4,6-7,10-12,19H2,1-2H3/t20-/m0/s1
InChIKeyMJTDQUQFQJAQEF-FQEVSTJZSA-N
MW324.51 g/mol
LogP7.12
Rot. Bonds11

About 1-[(6S)-6-methyldecoxy]-4-phenylbenzene

1-[(6S)-6-methyldecoxy]-4-phenylbenzene (PubChem CID 54076059) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[(6S)-6-methyldecoxy]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(6S)-6-methyldecoxy]-4-phenylbenzene
PubChem CID54076059
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name1-[(6S)-6-methyldecoxy]-4-phenylbenzene
SMILESCCCC[C@H](C)CCCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H32O/c1-3-4-11-20(2)12-7-6-10-19-24-23-17-15-22(16-18-23)21-13-8-5-9-14-21/h5,8-9,13-18,20H,3-4,6-7,10-12,19H2,1-2H3/t20-/m0/s1
InChIKeyMJTDQUQFQJAQEF-FQEVSTJZSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
1-pentoxy-4-phenylbenzene
CID 7021155
4-(6-methyldecoxy)phenol
CID 14495583
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
10-methyldodecoxybenzene
CID 143389992
1-(5-decoxy-3-methylpentoxy)-4-[4-(5-decoxypentoxy)phenyl]benzene
CID 162476664
1-decoxy-4-[4-(5-decoxy-3-methylpentoxy)phenyl]benzene
CID 162476675
2-[3-(4-phenylphenoxy)propyl]nonanenitrile
CID 67732048
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-methyldecoxy]-4-phenylbenzene?
The IUPAC name of 1-[(6S)-6-methyldecoxy]-4-phenylbenzene (CID 54076059) is 1-[(6S)-6-methyldecoxy]-4-phenylbenzene.
What is the SMILES notation for 1-[(6S)-6-methyldecoxy]-4-phenylbenzene?
The canonical SMILES for 1-[(6S)-6-methyldecoxy]-4-phenylbenzene is CCCC[C@H](C)CCCCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(6S)-6-methyldecoxy]-4-phenylbenzene?
The InChIKey is MJTDQUQFQJAQEF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32O/c1-3-4-11-20(2)12-7-6-10-19-24-23-17-15-22(16-18-23)21-13-8-5-9-14-21/h5,8-9,13-18,20H,3-4,6-7,10-12,19H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(6S)-6-methyldecoxy]-4-phenylbenzene?
1-[(6S)-6-methyldecoxy]-4-phenylbenzene has a molecular weight of 324.51 g/mol, XLogP of 7.12, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-methyldecoxy]-4-phenylbenzene is sourced from PubChem (CID 54076059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).