1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol

C26H22O4 — CID 72802652

IUPAC1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
SMILESCOc1ccc(C2(O)c3cccc4cccc(c34)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22O4/c1-29-20-13-9-18(10-14-20)25(27)22-7-3-5-17-6-4-8-23(24(17)22)26(25,28)19-11-15-21(30-2)16-12-19/h3-16,27-28H,1-2H3
InChIKeyDUIPUKVZXGMKNV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.34
Rot. Bonds4

About 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol

1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol (PubChem CID 72802652) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
PubChem CID72802652
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
SMILESCOc1ccc(C2(O)c3cccc4cccc(c34)C2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22O4/c1-29-20-13-9-18(10-14-20)25(27)22-7-3-5-17-6-4-8-23(24(17)22)26(25,28)19-11-15-21(30-2)16-12-19/h3-16,27-28H,1-2H3
InChIKeyDUIPUKVZXGMKNV-UHFFFAOYSA-N
XLogP4.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
CID 5250946
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885
9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
3-(4-methoxyphenyl)-2-methylidene-1H-indol-3-ol
CID 144593400
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
3,13,16-tris(4-methoxyphenyl)-8-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ol
CID 164670373
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol?
The IUPAC name of 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol (CID 72802652) is 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol is COc1ccc(C2(O)c3cccc4cccc(c34)C2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol?
The InChIKey is DUIPUKVZXGMKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4/c1-29-20-13-9-18(10-14-20)25(27)22-7-3-5-17-6-4-8-23(24(17)22)26(25,28)19-11-15-21(30-2)16-12-19/h3-16,27-28H,1-2H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol?
1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol has a molecular weight of 398.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol is sourced from PubChem (CID 72802652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).