1,5-bis(methoxymethoxy)-2-methylanthracene

C19H20O4 — CID 11186038

IUPAC1,5-bis(methoxymethoxy)-2-methylanthracene
SMILESCOCOc1cccc2cc3c(OCOC)c(C)ccc3cc12
InChIInChI=1S/C19H20O4/c1-13-7-8-15-9-16-14(5-4-6-18(16)22-11-20-2)10-17(15)19(13)23-12-21-3/h4-10H,11-12H2,1-3H3
InChIKeyZWRICESNDGYUMW-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.27
Rot. Bonds6

About 1,5-bis(methoxymethoxy)-2-methylanthracene

1,5-bis(methoxymethoxy)-2-methylanthracene (PubChem CID 11186038) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,5-bis(methoxymethoxy)-2-methylanthracene.

Molecular Properties

Compound Name1,5-bis(methoxymethoxy)-2-methylanthracene
PubChem CID11186038
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name1,5-bis(methoxymethoxy)-2-methylanthracene
SMILESCOCOc1cccc2cc3c(OCOC)c(C)ccc3cc12
InChIInChI=1S/C19H20O4/c1-13-7-8-15-9-16-14(5-4-6-18(16)22-11-20-2)10-17(15)19(13)23-12-21-3/h4-10H,11-12H2,1-3H3
InChIKeyZWRICESNDGYUMW-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-Methoxynaphthalene
CID 16668
1,4-Dimethoxyanthracene
CID 83107
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
Multicaulin
CID 467782
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547
Bunaprolast
CID 68730
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
4-[4-(4-Hydroxyphenyl)-2,3-bis(methoxymethoxy)-5,6-dimethylphenyl]phenol
CID 70695837
Anthracene, 9,10-methoxy-
CID 614085

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(methoxymethoxy)-2-methylanthracene?
The IUPAC name of 1,5-bis(methoxymethoxy)-2-methylanthracene (CID 11186038) is 1,5-bis(methoxymethoxy)-2-methylanthracene.
What is the SMILES notation for 1,5-bis(methoxymethoxy)-2-methylanthracene?
The canonical SMILES for 1,5-bis(methoxymethoxy)-2-methylanthracene is COCOc1cccc2cc3c(OCOC)c(C)ccc3cc12.
What is the InChIKey of 1,5-bis(methoxymethoxy)-2-methylanthracene?
The InChIKey is ZWRICESNDGYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-7-8-15-9-16-14(5-4-6-18(16)22-11-20-2)10-17(15)19(13)23-12-21-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 1,5-bis(methoxymethoxy)-2-methylanthracene?
1,5-bis(methoxymethoxy)-2-methylanthracene has a molecular weight of 312.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(methoxymethoxy)-2-methylanthracene is sourced from PubChem (CID 11186038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).