1-hexyl-4-(6-phenylhexoxy)benzene

C24H34O — CID 91256527

IUPAC1-hexyl-4-(6-phenylhexoxy)benzene
SMILESCCCCCCc1ccc(OCCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H34O/c1-2-3-4-8-16-23-17-19-24(20-18-23)25-21-12-6-5-9-13-22-14-10-7-11-15-22/h7,10-11,14-15,17-20H,2-6,8-9,12-13,16,21H2,1H3
InChIKeyLKVYVPNFLRJSHH-UHFFFAOYSA-N
MW338.53 g/mol
LogP6.99
Rot. Bonds13

About 1-hexyl-4-(6-phenylhexoxy)benzene

1-hexyl-4-(6-phenylhexoxy)benzene (PubChem CID 91256527) has the molecular formula C24H34O and a molecular weight of 338.53 g/mol. Its IUPAC name is 1-hexyl-4-(6-phenylhexoxy)benzene.

Molecular Properties

Compound Name1-hexyl-4-(6-phenylhexoxy)benzene
PubChem CID91256527
Molecular FormulaC24H34O
Molecular Weight338.53 g/mol
Exact Mass338.26
IUPAC Name1-hexyl-4-(6-phenylhexoxy)benzene
SMILESCCCCCCc1ccc(OCCCCCCc2ccccc2)cc1
InChIInChI=1S/C24H34O/c1-2-3-4-8-16-23-17-19-24(20-18-23)25-21-12-6-5-9-13-22-14-10-7-11-15-22/h7,10-11,14-15,17-20H,2-6,8-9,12-13,16,21H2,1H3
InChIKeyLKVYVPNFLRJSHH-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 56.99
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-hexoxy-4-pentylbenzene
CID 54277450
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-nonoxy-4-propylbenzene
CID 118632119
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
5-pentoxypentylbenzene
CID 19046566
10-butoxydecylbenzene
CID 151496754
4-octadecoxybutylbenzene
CID 70977182
N-[(4-pentoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804818
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(6-phenylhexoxy)benzene?
The IUPAC name of 1-hexyl-4-(6-phenylhexoxy)benzene (CID 91256527) is 1-hexyl-4-(6-phenylhexoxy)benzene.
What is the SMILES notation for 1-hexyl-4-(6-phenylhexoxy)benzene?
The canonical SMILES for 1-hexyl-4-(6-phenylhexoxy)benzene is CCCCCCc1ccc(OCCCCCCc2ccccc2)cc1.
What is the InChIKey of 1-hexyl-4-(6-phenylhexoxy)benzene?
The InChIKey is LKVYVPNFLRJSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-2-3-4-8-16-23-17-19-24(20-18-23)25-21-12-6-5-9-13-22-14-10-7-11-15-22/h7,10-11,14-15,17-20H,2-6,8-9,12-13,16,21H2,1H3.
What are the key properties of 1-hexyl-4-(6-phenylhexoxy)benzene?
1-hexyl-4-(6-phenylhexoxy)benzene has a molecular weight of 338.53 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(6-phenylhexoxy)benzene is sourced from PubChem (CID 91256527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).