(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

C18H24O2 — CID 155396490

IUPAC(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
SMILESCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1
InChIInChI=1S/C18H24O2/c1-5-12-9-15(19)17-13-8-11(2)6-7-14(13)18(3,4)20-16(17)10-12/h9-11,19H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyQRQFJBGNYWUWBP-LLVKDONJSA-N
MW272.39 g/mol
LogP4.70
Rot. Bonds1

About (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol (PubChem CID 155396490) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol.

Molecular Properties

Compound Name(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
PubChem CID155396490
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
SMILESCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1
InChIInChI=1S/C18H24O2/c1-5-12-9-15(19)17-13-8-11(2)6-7-14(13)18(3,4)20-16(17)10-12/h9-11,19H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyQRQFJBGNYWUWBP-LLVKDONJSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The IUPAC name of (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol (CID 155396490) is (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol.
What is the SMILES notation for (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The canonical SMILES for (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol is CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1.
What is the InChIKey of (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
The InChIKey is QRQFJBGNYWUWBP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24O2/c1-5-12-9-15(19)17-13-8-11(2)6-7-14(13)18(3,4)20-16(17)10-12/h9-11,19H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol?
(9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3-ethyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 155396490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).