8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

C18H18O3 — CID 95561498

IUPAC8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(OCc2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H18O3/c1-20-17-11-10-16(14-8-5-9-15(19)18(14)17)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyIOZQLWRBHYUYQW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.79
Rot. Bonds4

About 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 95561498) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID95561498
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(OCc2ccccc2)c2c1C(=O)CCC2
InChIInChI=1S/C18H18O3/c1-20-17-11-10-16(14-8-5-9-15(19)18(14)17)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyIOZQLWRBHYUYQW-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
5-oxo-2-phenylmethoxy-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 13067348
6-methyl-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 157206888
2-chloro-5-phenylmethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 102362654
2-(4-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-1-yl)benzoic acid
CID 86021263
(E)-3-(1-oxo-7-phenylmethoxy-2,3-dihydroinden-4-yl)prop-2-enoic acid
CID 118184951
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 13300403
8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 62732048
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one (CID 95561498) is 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(OCc2ccccc2)c2c1C(=O)CCC2.
What is the InChIKey of 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IOZQLWRBHYUYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-17-11-10-16(14-8-5-9-15(19)18(14)17)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one?
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 95561498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).