(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one

C19H20O2 — CID 125485410

IUPAC(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one
SMILESCOc1ccc2cc(C3=C(C)C(=O)[C@@H](C)CC3)ccc2c1
InChIInChI=1S/C19H20O2/c1-12-4-9-18(13(2)19(12)20)16-6-5-15-11-17(21-3)8-7-14(15)10-16/h5-8,10-12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyDZNCIUUPVLAEFW-LBPRGKRZSA-N
MW280.37 g/mol
LogP4.62
Rot. Bonds2

About (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one

(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one (PubChem CID 125485410) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one
PubChem CID125485410
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one
SMILESCOc1ccc2cc(C3=C(C)C(=O)[C@@H](C)CC3)ccc2c1
InChIInChI=1S/C19H20O2/c1-12-4-9-18(13(2)19(12)20)16-6-5-15-11-17(21-3)8-7-14(15)10-16/h5-8,10-12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyDZNCIUUPVLAEFW-LBPRGKRZSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one (CID 125485410) is (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one is COc1ccc2cc(C3=C(C)C(=O)[C@@H](C)CC3)ccc2c1.
What is the InChIKey of (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one?
The InChIKey is DZNCIUUPVLAEFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20O2/c1-12-4-9-18(13(2)19(12)20)16-6-5-15-11-17(21-3)8-7-14(15)10-16/h5-8,10-12H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one?
(6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(6-methoxynaphthalen-2-yl)-2,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 125485410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).