4-(2-methoxynaphthalen-1-yl)anthracen-2-ol

C25H18O2 — CID 132597550

IUPAC4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
SMILESCOc1ccc2ccccc2c1-c1cc(O)cc2cc3ccccc3cc12
InChIInChI=1S/C25H18O2/c1-27-24-11-10-16-6-4-5-9-21(16)25(24)23-15-20(26)13-19-12-17-7-2-3-8-18(17)14-22(19)23/h2-15,26H,1H3
InChIKeyVNKZXGOARIMGQJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP6.53
Rot. Bonds2

About 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol

4-(2-methoxynaphthalen-1-yl)anthracen-2-ol (PubChem CID 132597550) has the molecular formula C25H18O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol.

Molecular Properties

Compound Name4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
PubChem CID132597550
Molecular FormulaC25H18O2
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC Name4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
SMILESCOc1ccc2ccccc2c1-c1cc(O)cc2cc3ccccc3cc12
InChIInChI=1S/C25H18O2/c1-27-24-11-10-16-6-4-5-9-21(16)25(24)23-15-20(26)13-19-12-17-7-2-3-8-18(17)14-22(19)23/h2-15,26H,1H3
InChIKeyVNKZXGOARIMGQJ-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 132851119
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
4-methoxyphenanthren-2-ol
CID 139248183
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
CID 173098398
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773
(2-methoxyanthracen-1-yl)methanol
CID 102344428
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
13-hydroxy-10,16-bis(2-methoxynaphthalen-1-yl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene 13-oxide
CID 101461300

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol?
The IUPAC name of 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol (CID 132597550) is 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol.
What is the SMILES notation for 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol?
The canonical SMILES for 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol is COc1ccc2ccccc2c1-c1cc(O)cc2cc3ccccc3cc12.
What is the InChIKey of 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol?
The InChIKey is VNKZXGOARIMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O2/c1-27-24-11-10-16-6-4-5-9-21(16)25(24)23-15-20(26)13-19-12-17-7-2-3-8-18(17)14-22(19)23/h2-15,26H,1H3.
What are the key properties of 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol?
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol has a molecular weight of 350.42 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxynaphthalen-1-yl)anthracen-2-ol is sourced from PubChem (CID 132597550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).