6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one

C30H32O4 — CID 157305755

IUPAC6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2cc(OC)ccc2c1.COc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C18H22O2.C12H10O2/c1-3-4-5-6-7-18(19)16-9-8-15-13-17(20-2)11-10-14(15)12-16;1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h8-13H,3-7H2,1-2H3;2-8H,1H3
InChIKeyBCLGPCRMLMUSHJ-UHFFFAOYSA-N
MW456.58 g/mol
LogP7.66
Rot. Bonds9

About 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one

6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one (PubChem CID 157305755) has the molecular formula C30H32O4 and a molecular weight of 456.58 g/mol. Its IUPAC name is 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one.

Molecular Properties

Compound Name6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
PubChem CID157305755
Molecular FormulaC30H32O4
Molecular Weight456.58 g/mol
Exact Mass456.23
IUPAC Name6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one
SMILESCCCCCCC(=O)c1ccc2cc(OC)ccc2c1.COc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C18H22O2.C12H10O2/c1-3-4-5-6-7-18(19)16-9-8-15-13-17(20-2)11-10-14(15)12-16;1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h8-13H,3-7H2,1-2H3;2-8H,1H3
InChIKeyBCLGPCRMLMUSHJ-UHFFFAOYSA-N
XLogP7.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1-[6-[2-[6-[2-(6-hexanoylnaphthalen-2-yl)ethenyl]anthracen-2-yl]ethenyl]naphthalen-2-yl]hexan-1-one
CID 76589950
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
4-nonanoylbenzaldehyde
CID 59691825
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(6-hydroxynaphthalen-2-yl)dodecan-1-one
CID 68907241
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(3,5-dimethoxyphenyl)tridecan-1-one
CID 154094399

Frequently Asked Questions

What is the IUPAC name of 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one?
The IUPAC name of 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one (CID 157305755) is 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one.
What is the SMILES notation for 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one?
The canonical SMILES for 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one is CCCCCCC(=O)c1ccc2cc(OC)ccc2c1.COc1ccc2cc(C=O)ccc2c1.
What is the InChIKey of 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one?
The InChIKey is BCLGPCRMLMUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C12H10O2/c1-3-4-5-6-7-18(19)16-9-8-15-13-17(20-2)11-10-14(15)12-16;1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h8-13H,3-7H2,1-2H3;2-8H,1H3.
What are the key properties of 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one?
6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one has a molecular weight of 456.58 g/mol, XLogP of 7.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxynaphthalene-2-carbaldehyde;1-(6-methoxynaphthalen-2-yl)heptan-1-one is sourced from PubChem (CID 157305755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).