1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one

C35H34O2 — CID 142921011

IUPAC1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one
SMILESCCCCCCC(=O)c1c(-c2ccc3cc(C)ccc3c2)ccc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C35H34O2/c1-3-4-5-9-12-34(36)35-32(29-16-15-27-21-25(2)13-14-28(27)22-29)19-17-30-23-31(18-20-33(30)35)37-24-26-10-7-6-8-11-26/h6-8,10-11,13-23H,3-5,9,12,24H2,1-2H3
InChIKeyUGAVLSXZHAMSSN-UHFFFAOYSA-N
MW486.66 g/mol
LogP9.70
Rot. Bonds10

About 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one

1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one (PubChem CID 142921011) has the molecular formula C35H34O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one
PubChem CID142921011
Molecular FormulaC35H34O2
Molecular Weight486.66 g/mol
Exact Mass486.26
IUPAC Name1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one
SMILESCCCCCCC(=O)c1c(-c2ccc3cc(C)ccc3c2)ccc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C35H34O2/c1-3-4-5-9-12-34(36)35-32(29-16-15-27-21-25(2)13-14-28(27)22-29)19-17-30-23-31(18-20-33(30)35)37-24-26-10-7-6-8-11-26/h6-8,10-11,13-23H,3-5,9,12,24H2,1-2H3
InChIKeyUGAVLSXZHAMSSN-UHFFFAOYSA-N
XLogP9.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-bis(phenylmethoxy)phenyl]octan-1-one
CID 141320093
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
[4-(4-phenylmethoxyphenyl)phenyl] nonanoate
CID 101126804
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
1-anthracen-9-ylhexadecan-1-one
CID 134887627
2-[4-(4-methylphenyl)phenyl]-9,9-dioctyl-7-[4-(4-phenylmethoxyphenyl)phenyl]fluorene
CID 130409824
1-(2-hydroxy-3,4-dimethoxy-6-phenylmethoxyphenyl)dodecan-1-one
CID 14873626
2-(1-methyl-6-phenylmethoxynaphthalen-2-yl)acetyl chloride
CID 87347938
ethyl 2-[2-nonanoyl-3,4,5-tris(phenylmethoxy)phenyl]acetate
CID 141184839
1-[2-[6-(2-heptanoyl-4-phenylmethoxyphenyl)-5-hexa-1,3,5-triynoxy-1-hexoxynaphthalen-2-yl]-5-phenylmethoxyphenyl]heptan-1-one
CID 20754102
2-(2-nonanoyl-3-phenylmethoxyphenyl)acetic acid
CID 141184822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one?
The IUPAC name of 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one (CID 142921011) is 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one.
What is the SMILES notation for 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one?
The canonical SMILES for 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one is CCCCCCC(=O)c1c(-c2ccc3cc(C)ccc3c2)ccc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one?
The InChIKey is UGAVLSXZHAMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O2/c1-3-4-5-9-12-34(36)35-32(29-16-15-27-21-25(2)13-14-28(27)22-29)19-17-30-23-31(18-20-33(30)35)37-24-26-10-7-6-8-11-26/h6-8,10-11,13-23H,3-5,9,12,24H2,1-2H3.
What are the key properties of 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one?
1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one has a molecular weight of 486.66 g/mol, XLogP of 9.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylnaphthalen-2-yl)-6-phenylmethoxynaphthalen-1-yl]heptan-1-one is sourced from PubChem (CID 142921011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).