3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one

C18H15ClO2 — CID 91239869

IUPAC3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESO=C1C=C(Oc2ccccc2)c2cc(Cl)ccc2CCC1
InChIInChI=1S/C18H15ClO2/c19-14-10-9-13-5-4-6-15(20)12-18(17(13)11-14)21-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2
InChIKeyDRTNIBSFJZEPIT-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.67
Rot. Bonds2

About 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one

3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one (PubChem CID 91239869) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one.

Molecular Properties

Compound Name3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
PubChem CID91239869
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
SMILESO=C1C=C(Oc2ccccc2)c2cc(Cl)ccc2CCC1
InChIInChI=1S/C18H15ClO2/c19-14-10-9-13-5-4-6-15(20)12-18(17(13)11-14)21-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2
InChIKeyDRTNIBSFJZEPIT-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-azepin-7-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90688171
5-[3-(3-aminophenyl)phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90797617
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
2-(2-ethyl-2,3-dihydropyridin-5-yl)-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90745796
(E)-N-phenoxy-3,4-dihydro-2H-naphthalen-1-imine
CID 134846318
5-[4-(1,1-difluoroethoxy)phenoxy]-8,9-dihydrobenzo[7]annulen-7-one
CID 91010644
(2E)-2-benzylidene-7-chloro-3,4-dihydronaphthalen-1-one
CID 155364648
6-bromo-3-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 82024126
(5E)-5-[3-[6-(azocan-4-yl)-3-pyridinyl]phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 143958104
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
5-[3-[4-[3-[4-(3-pyridin-4-ylpropyl)cycloheptyl]propyl]phenyl]phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90752879
2-chlorodibenzothiophene 5-oxide
CID 155771931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The IUPAC name of 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one (CID 91239869) is 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one.
What is the SMILES notation for 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The canonical SMILES for 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one is O=C1C=C(Oc2ccccc2)c2cc(Cl)ccc2CCC1.
What is the InChIKey of 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
The InChIKey is DRTNIBSFJZEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO2/c19-14-10-9-13-5-4-6-15(20)12-18(17(13)11-14)21-16-7-2-1-3-8-16/h1-3,7-12H,4-6H2.
What are the key properties of 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one?
3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one has a molecular weight of 298.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenoxy-9,10-dihydro-8H-benzo[8]annulen-7-one is sourced from PubChem (CID 91239869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).