7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol

C26H29NO4 — CID 68841390

IUPAC7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol
SMILESCCCCC1(O)c2ccccc2-c2c1cc(O)c1cc(OC)c(N3CCOCC3)cc21
InChIInChI=1S/C26H29NO4/c1-3-4-9-26(29)20-8-6-5-7-17(20)25-19-14-22(27-10-12-31-13-11-27)24(30-2)15-18(19)23(28)16-21(25)26/h5-8,14-16,28-29H,3-4,9-13H2,1-2H3
InChIKeyYOQYRDGWVLPHDP-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.80
Rot. Bonds5

About 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol

7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol (PubChem CID 68841390) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol.

Molecular Properties

Compound Name7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol
PubChem CID68841390
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol
SMILESCCCCC1(O)c2ccccc2-c2c1cc(O)c1cc(OC)c(N3CCOCC3)cc21
InChIInChI=1S/C26H29NO4/c1-3-4-9-26(29)20-8-6-5-7-17(20)25-19-14-22(27-10-12-31-13-11-27)24(30-2)15-18(19)23(28)16-21(25)26/h5-8,14-16,28-29H,3-4,9-13H2,1-2H3
InChIKeyYOQYRDGWVLPHDP-UHFFFAOYSA-N
XLogP4.80
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol with MolForge

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Related Compounds

21-ethyl-10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-ol
CID 68870387
2-(2-methylphenyl)sulfanyl-3-morpholin-4-yl-1',1'-dipropylspiro[benzo[c]fluorene-7,4'-cyclohexane]-5-ol
CID 90337913
4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine
CID 170344894
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol
CID 170010702
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
4-[21-ethyl-5-(4-fluorophenyl)-10,21-dimethoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 68872302
4-[10-methoxy-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 66935735
7-ethyl-3-methoxybenzo[c]fluorene-5,7-diol
CID 68850071
21-butyl-10,11-dimethoxy-4,4-diphenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),8,10,12,15,17,19-octaen-21-ol
CID 166731011
4-[21-butyl-5,5-bis(4-methoxyphenyl)-10-methylsulfanyl-21-propyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 168851554
4-[4-(10-methoxy-21,21-dimethyl-11-morpholin-4-yl-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl)phenyl]morpholine
CID 168851518

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol?
The IUPAC name of 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol (CID 68841390) is 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol.
What is the SMILES notation for 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol?
The canonical SMILES for 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol is CCCCC1(O)c2ccccc2-c2c1cc(O)c1cc(OC)c(N3CCOCC3)cc21.
What is the InChIKey of 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol?
The InChIKey is YOQYRDGWVLPHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-3-4-9-26(29)20-8-6-5-7-17(20)25-19-14-22(27-10-12-31-13-11-27)24(30-2)15-18(19)23(28)16-21(25)26/h5-8,14-16,28-29H,3-4,9-13H2,1-2H3.
What are the key properties of 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol?
7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol has a molecular weight of 419.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol is sourced from PubChem (CID 68841390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).