8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one

C23H24O5 — CID 148501866

IUPAC8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
SMILESCOc1ccc2c(c1)CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C
InChIInChI=1S/C23H24O5/c1-23(2)19-10-16(28-12-14(25)11-24)5-7-18(19)22(26)21-17-6-4-15(27-3)8-13(17)9-20(21)23/h4-8,10,14,24-25H,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyMKUPMHWPHAVLSL-CQSZACIVSA-N
MW380.44 g/mol
LogP2.91
Rot. Bonds5

About 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one

8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one (PubChem CID 148501866) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one.

Molecular Properties

Compound Name8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
PubChem CID148501866
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
SMILESCOc1ccc2c(c1)CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C
InChIInChI=1S/C23H24O5/c1-23(2)19-10-16(28-12-14(25)11-24)5-7-18(19)22(26)21-17-6-4-15(27-3)8-13(17)9-20(21)23/h4-8,10,14,24-25H,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyMKUPMHWPHAVLSL-CQSZACIVSA-N
XLogP2.91
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one?
The IUPAC name of 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one (CID 148501866) is 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one.
What is the SMILES notation for 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one?
The canonical SMILES for 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one is COc1ccc2c(c1)CC1=C2C(=O)c2ccc(OC[C@H](O)CO)cc2C1(C)C.
What is the InChIKey of 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one?
The InChIKey is MKUPMHWPHAVLSL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24O5/c1-23(2)19-10-16(28-12-14(25)11-24)5-7-18(19)22(26)21-17-6-4-15(27-3)8-13(17)9-20(21)23/h4-8,10,14,24-25H,9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one?
8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one has a molecular weight of 380.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one is sourced from PubChem (CID 148501866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).