3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one

C19H20O2 — CID 118324757

IUPAC3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
SMILESO=C1CCCCc2ccc(OCc3ccccc3)cc2C1
InChIInChI=1S/C19H20O2/c20-18-9-5-4-8-16-10-11-19(13-17(16)12-18)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,12,14H2
InChIKeyRDXMIRIFPVDDIN-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.10
Rot. Bonds3

About 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one

3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one (PubChem CID 118324757) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one.

Molecular Properties

Compound Name3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
PubChem CID118324757
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
SMILESO=C1CCCCc2ccc(OCc3ccccc3)cc2C1
InChIInChI=1S/C19H20O2/c20-18-9-5-4-8-16-10-11-19(13-17(16)12-18)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,12,14H2
InChIKeyRDXMIRIFPVDDIN-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-phenylmethoxyphenyl)sulfanyl-3,4-dihydro-1H-naphthalen-2-one
CID 141228304
7-(4-phenylmethoxythiophen-2-yl)-3,4-dihydro-1H-naphthalen-2-one
CID 174612461
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
5-phenylmethoxy-3H-1-benzofuran-2-one
CID 50887902
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one?
The IUPAC name of 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one (CID 118324757) is 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one.
What is the SMILES notation for 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one?
The canonical SMILES for 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one is O=C1CCCCc2ccc(OCc3ccccc3)cc2C1.
What is the InChIKey of 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one?
The InChIKey is RDXMIRIFPVDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18-9-5-4-8-16-10-11-19(13-17(16)12-18)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-11,13H,4-5,8-9,12,14H2.
What are the key properties of 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one?
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one has a molecular weight of 280.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one is sourced from PubChem (CID 118324757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).