2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene

C35H30O3 — CID 139095345

IUPAC2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
SMILESCOc1ccc2ccccc2c1Cc1ccc2c(Cc3c(OC)ccc4ccccc34)c(OC)ccc2c1
InChIInChI=1S/C35H30O3/c1-36-33-17-13-24-8-4-6-10-27(24)30(33)21-23-12-16-29-26(20-23)15-19-35(38-3)32(29)22-31-28-11-7-5-9-25(28)14-18-34(31)37-2/h4-20H,21-22H2,1-3H3
InChIKeyFPISWYXMVMNKBU-UHFFFAOYSA-N
MW498.62 g/mol
LogP8.35
Rot. Bonds7

About 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene

2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene (PubChem CID 139095345) has the molecular formula C35H30O3 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
PubChem CID139095345
Molecular FormulaC35H30O3
Molecular Weight498.62 g/mol
Exact Mass498.22
IUPAC Name2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
SMILESCOc1ccc2ccccc2c1Cc1ccc2c(Cc3c(OC)ccc4ccccc34)c(OC)ccc2c1
InChIInChI=1S/C35H30O3/c1-36-33-17-13-24-8-4-6-10-27(24)30(33)21-23-12-16-29-26(20-23)15-19-35(38-3)32(29)22-31-28-11-7-5-9-25(28)14-18-34(31)37-2/h4-20H,21-22H2,1-3H3
InChIKeyFPISWYXMVMNKBU-UHFFFAOYSA-N
XLogP8.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-7-methoxy-2-[[7-methoxy-8-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]methoxy]naphthalene
CID 166896923
2-[(2-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-[(2-methylnaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
CID 158505216
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
N-(2-methoxyethoxy)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 82714997
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
CID 15852632
1-[(2-methoxynaphthalen-1-yl)methoxy]anthracene
CID 71427905
(2-methoxyanthracen-1-yl)methanol
CID 102344428
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
benzyl-[(2-methoxynaphthalen-1-yl)methyl]-methylazanium
CID 7322225

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene?
The IUPAC name of 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene (CID 139095345) is 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene.
What is the SMILES notation for 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene?
The canonical SMILES for 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene is COc1ccc2ccccc2c1Cc1ccc2c(Cc3c(OC)ccc4ccccc34)c(OC)ccc2c1.
What is the InChIKey of 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene?
The InChIKey is FPISWYXMVMNKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O3/c1-36-33-17-13-24-8-4-6-10-27(24)30(33)21-23-12-16-29-26(20-23)15-19-35(38-3)32(29)22-31-28-11-7-5-9-25(28)14-18-34(31)37-2/h4-20H,21-22H2,1-3H3.
What are the key properties of 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene?
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene has a molecular weight of 498.62 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene is sourced from PubChem (CID 139095345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).