3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol

C22H22O4 — CID 168870668

IUPAC3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol
SMILESCOc1ccc2c(c1)C(C)(C)c1c-2c(O)cc2c(OC)c(OC)ccc12
InChIInChI=1S/C22H22O4/c1-22(2)16-10-12(24-3)6-7-14(16)19-17(23)11-15-13(20(19)22)8-9-18(25-4)21(15)26-5/h6-11,23H,1-5H3
InChIKeyLBTHRRGHSYEQFS-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.88
Rot. Bonds3

About 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol

3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol (PubChem CID 168870668) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol.

Molecular Properties

Compound Name3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol
PubChem CID168870668
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol
SMILESCOc1ccc2c(c1)C(C)(C)c1c-2c(O)cc2c(OC)c(OC)ccc12
InChIInChI=1S/C22H22O4/c1-22(2)16-10-12(24-3)6-7-14(16)19-17(23)11-15-13(20(19)22)8-9-18(25-4)21(15)26-5/h6-11,23H,1-5H3
InChIKeyLBTHRRGHSYEQFS-UHFFFAOYSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
CID 170123001
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
18-methoxy-10,10-bis(4-methoxyphenyl)-21,21-dimethyl-9-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),11,15(20),16,18-nonaene
CID 12994769
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
7-fluoro-2,4-dimethoxy-9,9-dimethylfluorene
CID 147991606
2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
CID 67972181
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
CID 22173838
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
[2-(2,3-dimethoxyphenyl)-6-methoxynaphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 19362260

Frequently Asked Questions

What is the IUPAC name of 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol?
The IUPAC name of 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol (CID 168870668) is 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol.
What is the SMILES notation for 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol?
The canonical SMILES for 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol is COc1ccc2c(c1)C(C)(C)c1c-2c(O)cc2c(OC)c(OC)ccc12.
What is the InChIKey of 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol?
The InChIKey is LBTHRRGHSYEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-22(2)16-10-12(24-3)6-7-14(16)19-17(23)11-15-13(20(19)22)8-9-18(25-4)21(15)26-5/h6-11,23H,1-5H3.
What are the key properties of 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol?
3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol has a molecular weight of 350.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethoxy-11,11-dimethylbenzo[a]fluoren-6-ol is sourced from PubChem (CID 168870668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).