5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol

C27H28O2 — CID 155221987

IUPAC5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol
SMILESOCCCCCOc1cccc2c1CCC(c1ccc(-c3ccccc3)cc1)=C2
InChIInChI=1S/C27H28O2/c28-18-5-2-6-19-29-27-11-7-10-25-20-24(16-17-26(25)27)23-14-12-22(13-15-23)21-8-3-1-4-9-21/h1,3-4,7-15,20,28H,2,5-6,16-19H2
InChIKeyQCOYEQSVVYDZLE-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.38
Rot. Bonds8

About 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol

5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol (PubChem CID 155221987) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol
PubChem CID155221987
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol
SMILESOCCCCCOc1cccc2c1CCC(c1ccc(-c3ccccc3)cc1)=C2
InChIInChI=1S/C27H28O2/c28-18-5-2-6-19-29-27-11-7-10-25-20-24(16-17-26(25)27)23-14-12-22(13-15-23)21-8-3-1-4-9-21/h1,3-4,7-15,20,28H,2,5-6,16-19H2
InChIKeyQCOYEQSVVYDZLE-UHFFFAOYSA-N
XLogP6.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-pentoxy-3-phenyl-1,2-dihydronaphthalene
CID 155712236
methoxy-[methoxy-methyl-[5-[(6-phenyl-7,8-dihydronaphthalen-1-yl)oxy]pentyl]silyl]oxy-methyl-[5-[(6-phenyl-7,8-dihydronaphthalen-1-yl)oxy]pentyl]silane
CID 167404813
5-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)pentan-1-ol
CID 167404814
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)oxy]hexyl 2,3-diamino-2-methylpropanoate
CID 155222045
2-(3-bromopropoxy)oxane;8-pentoxy-3-phenyl-1,2-dihydronaphthalene
CID 155712235
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol
CID 155222322

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol?
The IUPAC name of 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol (CID 155221987) is 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol.
What is the SMILES notation for 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol?
The canonical SMILES for 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol is OCCCCCOc1cccc2c1CCC(c1ccc(-c3ccccc3)cc1)=C2.
What is the InChIKey of 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol?
The InChIKey is QCOYEQSVVYDZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O2/c28-18-5-2-6-19-29-27-11-7-10-25-20-24(16-17-26(25)27)23-14-12-22(13-15-23)21-8-3-1-4-9-21/h1,3-4,7-15,20,28H,2,5-6,16-19H2.
What are the key properties of 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol?
5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol has a molecular weight of 384.52 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol is sourced from PubChem (CID 155221987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).