6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C18H18O3 — CID 54107064

IUPAC6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(COc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C18H18O3/c1-20-15-7-5-13(6-8-15)12-21-16-9-10-17-14(11-16)3-2-4-18(17)19/h5-11H,2-4,12H2,1H3
InChIKeyNEMFMVXPROPQKA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.79
Rot. Bonds4

About 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 54107064) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID54107064
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc(COc2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C18H18O3/c1-20-15-7-5-13(6-8-15)12-21-16-9-10-17-14(11-16)3-2-4-18(17)19/h5-11H,2-4,12H2,1H3
InChIKeyNEMFMVXPROPQKA-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

6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
6-(4-phenylmethoxyphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 101422030
6-[(4-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 107881278
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enoic acid
CID 155168329
(E)-3-[4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxymethyl]phenyl]prop-2-enamide
CID 155181144
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 54107064) is 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is COc1ccc(COc2ccc3c(c2)CCCC3=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NEMFMVXPROPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-15-7-5-13(6-8-15)12-21-16-9-10-17-14(11-16)3-2-4-18(17)19/h5-11H,2-4,12H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(4-methoxyphenyl)methoxy]-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 6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 54107064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).