methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone

C27H24O4 — CID 172781894

IUPACmethyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
SMILESCOC(C)=O.O=C(c1ccccc1)c1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H18O2.C3H6O2/c25-24(20-7-2-1-3-8-20)21-12-14-23(15-13-21)26-17-18-10-11-19-6-4-5-9-22(19)16-18;1-3(4)5-2/h1-16H,17H2;1-2H3
InChIKeyOJHFBACLGNMYQL-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.83
Rot. Bonds5

About methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone

methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone (PubChem CID 172781894) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Namemethyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
PubChem CID172781894
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Namemethyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
SMILESCOC(C)=O.O=C(c1ccccc1)c1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H18O2.C3H6O2/c25-24(20-7-2-1-3-8-20)21-12-14-23(15-13-21)26-17-18-10-11-19-6-4-5-9-22(19)16-18;1-3(4)5-2/h1-16H,17H2;1-2H3
InChIKeyOJHFBACLGNMYQL-UHFFFAOYSA-N
XLogP5.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
CID 7717780
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
N-hydroxy-N-[[4-(naphthalen-2-ylmethoxy)phenyl]methyl]acetamide
CID 15670559
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
[3,5-bis[[3,5-bis[(4-benzoylphenyl)methoxy]phenyl]methoxy]phenyl]methyl naphthalene-2-carboxylate
CID 101399905
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008

Frequently Asked Questions

What is the IUPAC name of methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone?
The IUPAC name of methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone (CID 172781894) is methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone?
The canonical SMILES for methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone is COC(C)=O.O=C(c1ccccc1)c1ccc(OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone?
The InChIKey is OJHFBACLGNMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2.C3H6O2/c25-24(20-7-2-1-3-8-20)21-12-14-23(15-13-21)26-17-18-10-11-19-6-4-5-9-22(19)16-18;1-3(4)5-2/h1-16H,17H2;1-2H3.
What are the key properties of methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone?
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone has a molecular weight of 412.49 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 172781894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).