1,6,7,8-tetrahydrochrysen-2-ol

C18H16O — CID 175286518

IUPAC1,6,7,8-tetrahydrochrysen-2-ol
SMILESOC1=CC=c2c(ccc3c2=CCC2=C3C=CCC2)C1
InChIInChI=1S/C18H16O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h2,4,6-10,19H,1,3,5,11H2
InChIKeyMUJYUZPVFDYBIG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.75
Rot. Bonds

About 1,6,7,8-tetrahydrochrysen-2-ol

1,6,7,8-tetrahydrochrysen-2-ol (PubChem CID 175286518) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1,6,7,8-tetrahydrochrysen-2-ol.

Molecular Properties

Compound Name1,6,7,8-tetrahydrochrysen-2-ol
PubChem CID175286518
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1,6,7,8-tetrahydrochrysen-2-ol
SMILESOC1=CC=c2c(ccc3c2=CCC2=C3C=CCC2)C1
InChIInChI=1S/C18H16O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h2,4,6-10,19H,1,3,5,11H2
InChIKeyMUJYUZPVFDYBIG-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,8-tetrahydrochrysen-2-ol?
The IUPAC name of 1,6,7,8-tetrahydrochrysen-2-ol (CID 175286518) is 1,6,7,8-tetrahydrochrysen-2-ol.
What is the SMILES notation for 1,6,7,8-tetrahydrochrysen-2-ol?
The canonical SMILES for 1,6,7,8-tetrahydrochrysen-2-ol is OC1=CC=c2c(ccc3c2=CCC2=C3C=CCC2)C1.
What is the InChIKey of 1,6,7,8-tetrahydrochrysen-2-ol?
The InChIKey is MUJYUZPVFDYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h2,4,6-10,19H,1,3,5,11H2.
What are the key properties of 1,6,7,8-tetrahydrochrysen-2-ol?
1,6,7,8-tetrahydrochrysen-2-ol has a molecular weight of 248.32 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,8-tetrahydrochrysen-2-ol is sourced from PubChem (CID 175286518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).