3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol

C18H20O3 — CID 155688754

IUPAC3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol
SMILESCCc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2
InChIInChI=1S/C18H20O3/c1-4-11-8-14(20)17-15(9-11)21-18(2,3)13-7-5-6-12(10-19)16(13)17/h5-9,19-20H,4,10H2,1-3H3
InChIKeyVWMFLYOUCVXRNC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.74
Rot. Bonds2

About 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol

3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol (PubChem CID 155688754) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Name3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol
PubChem CID155688754
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol
SMILESCCc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2
InChIInChI=1S/C18H20O3/c1-4-11-8-14(20)17-15(9-11)21-18(2,3)13-7-5-6-12(10-19)16(13)17/h5-9,19-20H,4,10H2,1-3H3
InChIKeyVWMFLYOUCVXRNC-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol?
The IUPAC name of 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol (CID 155688754) is 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol.
What is the SMILES notation for 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol?
The canonical SMILES for 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol is CCc1cc(O)c2c(c1)OC(C)(C)c1cccc(CO)c1-2.
What is the InChIKey of 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol?
The InChIKey is VWMFLYOUCVXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-11-8-14(20)17-15(9-11)21-18(2,3)13-7-5-6-12(10-19)16(13)17/h5-9,19-20H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol?
3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol has a molecular weight of 284.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-10-(hydroxymethyl)-6,6-dimethylbenzo[c]chromen-1-ol is sourced from PubChem (CID 155688754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).