2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C25H24O3 — CID 165350338

IUPAC2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C25H24O3/c26-23-14-8-7-13-21-15-24(27-17-19-9-3-1-4-10-19)25(16-22(21)23)28-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2
InChIKeyNWKDSMDPZKLBDP-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.75
Rot. Bonds6

About 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 165350338) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID165350338
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C25H24O3/c26-23-14-8-7-13-21-15-24(27-17-19-9-3-1-4-10-19)25(16-22(21)23)28-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2
InChIKeyNWKDSMDPZKLBDP-UHFFFAOYSA-N
XLogP5.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
5-oxo-2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid
CID 19841246
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
3-[[3-oxo-6-(2-phenylethoxy)-1,2-dihydroinden-5-yl]oxymethyl]benzoic acid
CID 11718321
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
4-[(6-phenyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 155520617

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 165350338) is 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1CCCCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc21.
What is the InChIKey of 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is NWKDSMDPZKLBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c26-23-14-8-7-13-21-15-24(27-17-19-9-3-1-4-10-19)25(16-22(21)23)28-18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2.
What are the key properties of 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 372.46 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 165350338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).