3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol

C20H22O2 — CID 155222322

IUPAC3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2c(c1)CCCC(c1ccccc1)=C2
InChIInChI=1S/C20H22O2/c21-12-5-13-22-20-11-10-19-14-17(8-4-9-18(19)15-20)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,21H,4-5,8-9,12-13H2
InChIKeyBZQSJPHZMLKDNU-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.32
Rot. Bonds5

About 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol

3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol (PubChem CID 155222322) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol
PubChem CID155222322
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2c(c1)CCCC(c1ccccc1)=C2
InChIInChI=1S/C20H22O2/c21-12-5-13-22-20-11-10-19-14-17(8-4-9-18(19)15-20)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,21H,4-5,8-9,12-13H2
InChIKeyBZQSJPHZMLKDNU-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.32
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

3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155221970
3-[(6-phenyl-7,8-dihydronaphthalen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155222302
4-[(2-phenyl-3H-inden-5-yl)oxy]butyl prop-2-enoate
CID 155221904
7-[(2-methylpropan-2-yl)oxy]-3-phenyl-1,2-dihydronaphthalene
CID 150184900
(6-phenyl-7,8-dihydronaphthalen-2-yl) prop-2-enoate
CID 155221961
2,2-dimethylbutanal;2-(5-methoxypentoxy)-6-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene
CID 155712287
5-[[6-(2,4-difluorophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]oxy]pentyl 2-methylprop-2-enoate
CID 155221899
6-(3-phenylphenoxy)hexan-1-ol
CID 15006942
5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol
CID 155221987
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
5-[6-(4-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]pentanoic acid
CID 58439105
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542

Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol (CID 155222322) is 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol is OCCCOc1ccc2c(c1)CCCC(c1ccccc1)=C2.
What is the InChIKey of 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol?
The InChIKey is BZQSJPHZMLKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-12-5-13-22-20-11-10-19-14-17(8-4-9-18(19)15-20)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,21H,4-5,8-9,12-13H2.
What are the key properties of 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol?
3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 155222322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).