3,6-dimethoxy-9-propan-2-yl-9H-xanthene

C18H20O3 — CID 71740305

IUPAC3,6-dimethoxy-9-propan-2-yl-9H-xanthene
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2C(C)C
InChIInChI=1S/C18H20O3/c1-11(2)18-14-7-5-12(19-3)9-16(14)21-17-10-13(20-4)6-8-15(17)18/h5-11,18H,1-4H3
InChIKeyHIMOCWVZUOOOOJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.60
Rot. Bonds3

About 3,6-dimethoxy-9-propan-2-yl-9H-xanthene

3,6-dimethoxy-9-propan-2-yl-9H-xanthene (PubChem CID 71740305) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,6-dimethoxy-9-propan-2-yl-9H-xanthene.

Molecular Properties

Compound Name3,6-dimethoxy-9-propan-2-yl-9H-xanthene
PubChem CID71740305
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3,6-dimethoxy-9-propan-2-yl-9H-xanthene
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2C(C)C
InChIInChI=1S/C18H20O3/c1-11(2)18-14-7-5-12(19-3)9-16(14)21-17-10-13(20-4)6-8-15(17)18/h5-11,18H,1-4H3
InChIKeyHIMOCWVZUOOOOJ-UHFFFAOYSA-N
XLogP4.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
2,6-dimethoxy-9H-xanthene-9-carboxylic acid
CID 23283018
9-hexyl-3,6-dimethoxy-9H-xanthene
CID 71740306
7-methoxy-2-methylidene-3,4-dihydrochromen-4-ol
CID 177393956
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710884
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681
(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 124547873
7-methoxy-2,4-diphenyl-4H-chromene
CID 10380919
(2-methoxy-9H-xanthen-9-yl)-triphenylphosphanium
CID 102414096
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9-propan-2-yl-9H-xanthene?
The IUPAC name of 3,6-dimethoxy-9-propan-2-yl-9H-xanthene (CID 71740305) is 3,6-dimethoxy-9-propan-2-yl-9H-xanthene.
What is the SMILES notation for 3,6-dimethoxy-9-propan-2-yl-9H-xanthene?
The canonical SMILES for 3,6-dimethoxy-9-propan-2-yl-9H-xanthene is COc1ccc2c(c1)Oc1cc(OC)ccc1C2C(C)C.
What is the InChIKey of 3,6-dimethoxy-9-propan-2-yl-9H-xanthene?
The InChIKey is HIMOCWVZUOOOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11(2)18-14-7-5-12(19-3)9-16(14)21-17-10-13(20-4)6-8-15(17)18/h5-11,18H,1-4H3.
What are the key properties of 3,6-dimethoxy-9-propan-2-yl-9H-xanthene?
3,6-dimethoxy-9-propan-2-yl-9H-xanthene has a molecular weight of 284.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9-propan-2-yl-9H-xanthene is sourced from PubChem (CID 71740305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).