(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one

C19H26O4 — CID 59163243

IUPAC(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one
SMILESCC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@]1(O)OC2=O
InChIInChI=1S/C19H26O4/c1-11(2)12-9-13-14(10-15(12)20)18(5)8-6-7-17(3,4)19(18,22)23-16(13)21/h9-11,20,22H,6-8H2,1-5H3/t18-,19-/m1/s1
InChIKeyWGTGFHYBNHMAFH-RTBURBONSA-N
MW318.41 g/mol
LogP3.84
Rot. Bonds1

About (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one

(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one (PubChem CID 59163243) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one.

Molecular Properties

Compound Name(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one
PubChem CID59163243
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one
SMILESCC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@]1(O)OC2=O
InChIInChI=1S/C19H26O4/c1-11(2)12-9-13-14(10-15(12)20)18(5)8-6-7-17(3,4)19(18,22)23-16(13)21/h9-11,20,22H,6-8H2,1-5H3/t18-,19-/m1/s1
InChIKeyWGTGFHYBNHMAFH-RTBURBONSA-N
XLogP3.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Casearborin A
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Casearborin E
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Casearborin C
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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one?
The IUPAC name of (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one (CID 59163243) is (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one.
What is the SMILES notation for (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one?
The canonical SMILES for (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one is CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@]1(O)OC2=O.
What is the InChIKey of (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one?
The InChIKey is WGTGFHYBNHMAFH-RTBURBONSA-N. The full InChI is InChI=1S/C19H26O4/c1-11(2)12-9-13-14(10-15(12)20)18(5)8-6-7-17(3,4)19(18,22)23-16(13)21/h9-11,20,22H,6-8H2,1-5H3/t18-,19-/m1/s1.
What are the key properties of (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one?
(4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one has a molecular weight of 318.41 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4a,9-dihydroxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one is sourced from PubChem (CID 59163243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).