3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol

C20H18O2 — CID 68539304

IUPAC3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccccc3)c(C3CC3)cc2c1
InChIInChI=1S/C20H18O2/c1-22-16-9-10-17-15(11-16)12-18(13-7-8-13)19(20(17)21)14-5-3-2-4-6-14/h2-6,9-13,21H,7-8H2,1H3
InChIKeyOHICNMGNPNYYKP-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.10
Rot. Bonds3

About 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol

3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol (PubChem CID 68539304) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol
PubChem CID68539304
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccccc3)c(C3CC3)cc2c1
InChIInChI=1S/C20H18O2/c1-22-16-9-10-17-15(11-16)12-18(13-7-8-13)19(20(17)21)14-5-3-2-4-6-14/h2-6,9-13,21H,7-8H2,1H3
InChIKeyOHICNMGNPNYYKP-UHFFFAOYSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol?
The IUPAC name of 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol (CID 68539304) is 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol.
What is the SMILES notation for 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol?
The canonical SMILES for 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol is COc1ccc2c(O)c(-c3ccccc3)c(C3CC3)cc2c1.
What is the InChIKey of 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol?
The InChIKey is OHICNMGNPNYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-22-16-9-10-17-15(11-16)12-18(13-7-8-13)19(20(17)21)14-5-3-2-4-6-14/h2-6,9-13,21H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol?
3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol has a molecular weight of 290.36 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methoxy-2-phenylnaphthalen-1-ol is sourced from PubChem (CID 68539304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).