3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol

C25H25F3O3 — CID 170035779

IUPAC3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol
SMILESCCCC1(CCC(F)(F)F)c2cc(OC)ccc2-c2c1cc(O)c1cc(OC)ccc21
InChIInChI=1S/C25H25F3O3/c1-4-9-24(10-11-25(26,27)28)20-13-16(31-3)6-8-18(20)23-17-7-5-15(30-2)12-19(17)22(29)14-21(23)24/h5-8,12-14,29H,4,9-11H2,1-3H3
InChIKeyUEUOFEMMDAAXIC-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.97
Rot. Bonds6

About 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol

3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol (PubChem CID 170035779) has the molecular formula C25H25F3O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol.

Molecular Properties

Compound Name3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol
PubChem CID170035779
Molecular FormulaC25H25F3O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol
SMILESCCCC1(CCC(F)(F)F)c2cc(OC)ccc2-c2c1cc(O)c1cc(OC)ccc21
InChIInChI=1S/C25H25F3O3/c1-4-9-24(10-11-25(26,27)28)20-13-16(31-3)6-8-18(20)23-17-7-5-15(30-2)12-19(17)22(29)14-21(23)24/h5-8,12-14,29H,4,9-11H2,1-3H3
InChIKeyUEUOFEMMDAAXIC-UHFFFAOYSA-N
XLogP6.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-3-methoxybenzo[c]fluorene-5,7-diol
CID 68850071
3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
CID 170123001
CID 164811307
CID 164811307
2-bromo-9-methylsulfanyl-7,7-dipropylbenzo[c]fluoren-5-ol
CID 156533758
7,7-dihexylbenzo[c]fluorene-5,9-diol
CID 20754166
4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
CID 10739357
20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
CID 59480291
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol
CID 159410395
18-methoxy-5,5-bis(4-methoxyphenyl)-10-methyl-21-propyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-21-ol
CID 67476635
2-[(1R)-1-amino-4,4,4-trifluorobutyl]-5-methoxyphenol
CID 171200659
17-methoxy-9-methyl-4-oxapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(21),7(12),8,10,13,15,17,19-octaen-20-ol
CID 23573968

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol?
The IUPAC name of 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol (CID 170035779) is 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol.
What is the SMILES notation for 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol?
The canonical SMILES for 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol is CCCC1(CCC(F)(F)F)c2cc(OC)ccc2-c2c1cc(O)c1cc(OC)ccc21.
What is the InChIKey of 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol?
The InChIKey is UEUOFEMMDAAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O3/c1-4-9-24(10-11-25(26,27)28)20-13-16(31-3)6-8-18(20)23-17-7-5-15(30-2)12-19(17)22(29)14-21(23)24/h5-8,12-14,29H,4,9-11H2,1-3H3.
What are the key properties of 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol?
3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol has a molecular weight of 430.47 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethoxy-7-propyl-7-(3,3,3-trifluoropropyl)benzo[c]fluoren-5-ol is sourced from PubChem (CID 170035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).