9-(4-methoxyphenyl)xanthen-9-ol

C40H32O6 — CID 139147484

IUPAC9-(4-methoxyphenyl)xanthen-9-ol
SMILESCOc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1.COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/2C20H16O3/c2*1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2*2-13,21H,1H3
InChIKeyQNLANWTWNOKCGA-UHFFFAOYSA-N
MW608.69 g/mol
LogP8.17
Rot. Bonds4

About 9-(4-methoxyphenyl)xanthen-9-ol

9-(4-methoxyphenyl)xanthen-9-ol (PubChem CID 139147484) has the molecular formula C40H32O6 and a molecular weight of 608.69 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)xanthen-9-ol.

Molecular Properties

Compound Name9-(4-methoxyphenyl)xanthen-9-ol
PubChem CID139147484
Molecular FormulaC40H32O6
Molecular Weight608.69 g/mol
Exact Mass608.22
IUPAC Name9-(4-methoxyphenyl)xanthen-9-ol
SMILESCOc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1.COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/2C20H16O3/c2*1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2*2-13,21H,1H3
InChIKeyQNLANWTWNOKCGA-UHFFFAOYSA-N
XLogP8.17
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.69
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
(1R,17S)-9-(4-methoxyphenyl)-20-oxapentacyclo[15.2.1.02,16.03,8.010,15]icosa-2(16),3,5,7,10,12,14,18-octaen-9-ol
CID 11749319
3-(4-methoxyphenyl)-2-methylidene-1H-indol-3-ol
CID 144593400
11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol
CID 12006962
9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol
CID 101053867
(9R)-3-chloro-9-phenylxanthen-9-ol
CID 92531993
1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene
CID 15856539
1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
CID 72802652
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
N,N,9-trimethylxanthen-9-amine
CID 68833214
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
9-ethenylxanthen-9-ol
CID 19261468

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)xanthen-9-ol?
The IUPAC name of 9-(4-methoxyphenyl)xanthen-9-ol (CID 139147484) is 9-(4-methoxyphenyl)xanthen-9-ol.
What is the SMILES notation for 9-(4-methoxyphenyl)xanthen-9-ol?
The canonical SMILES for 9-(4-methoxyphenyl)xanthen-9-ol is COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1.COc1ccc(C2(O)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)xanthen-9-ol?
The InChIKey is QNLANWTWNOKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16O3/c2*1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2*2-13,21H,1H3.
What are the key properties of 9-(4-methoxyphenyl)xanthen-9-ol?
9-(4-methoxyphenyl)xanthen-9-ol has a molecular weight of 608.69 g/mol, XLogP of 8.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)xanthen-9-ol is sourced from PubChem (CID 139147484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).