6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one

C23H20O3 — CID 101422030

IUPAC6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccc(OCc4ccccc4)cc3)ccc21
InChIInChI=1S/C23H20O3/c24-23-8-4-7-18-15-21(13-14-22(18)23)26-20-11-9-19(10-12-20)25-16-17-5-2-1-3-6-17/h1-3,5-6,9-15H,4,7-8,16H2
InChIKeyYWBFQUDTZAPDIX-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.58
Rot. Bonds5

About 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 101422030) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID101422030
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Oc3ccc(OCc4ccccc4)cc3)ccc21
InChIInChI=1S/C23H20O3/c24-23-8-4-7-18-15-21(13-14-22(18)23)26-20-11-9-19(10-12-20)25-16-17-5-2-1-3-6-17/h1-3,5-6,9-15H,4,7-8,16H2
InChIKeyYWBFQUDTZAPDIX-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 89318567
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enoic acid
CID 155168329
6-[2-(oxan-2-yloxy)-6-phenylmethoxyphenoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 139263952
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
6-[2-(fluoromethyl)phenoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 118606522
6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 107881278
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 101422030) is 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(Oc3ccc(OCc4ccccc4)cc3)ccc21.
What is the InChIKey of 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YWBFQUDTZAPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3/c24-23-8-4-7-18-15-21(13-14-22(18)23)26-20-11-9-19(10-12-20)25-16-17-5-2-1-3-6-17/h1-3,5-6,9-15H,4,7-8,16H2.
What are the key properties of 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 344.41 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 101422030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).